Name: (R)-1-N-BOC-PIPERIDINE-2-ETHANOL
SKU: 250249-85-5

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Basic Information

Molecular Structure:
CAS No.:	250249-85-5
Name:	(R)-1-N-BOC-PIPERIDINE-2-ETHANOL
Article Data:	9

Formula:	C₁₂H₂₃NO₃
Molecular Weight:	229.32
Synonyms:	tert-Butyl (2R)-2-(2-hydroxyethyl)piperidine-1-carboxylate;(R)-1-Boc-piperidine-2-ethanol;(R)-2-(2-Hydroxy-ethyl)-piperidine-1-carboxylic acid tert-butyl ester;AC1LTT5C;ZINC01436025;FT-0083992;
Density:	1.043 g/cm³
Boiling Point:	324.1 °C at 760 mmHg
Flash Point:	149.8 °C
PSA:	49.77000
LogP:	2.09630

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Specification

The 1-Piperidinecarboxylicacid, 2-(2-hydroxyethyl)-, 1,1-dimethylethyl ester, (2R)- with CAS registry number of 250249-85-5 is also known as (R)-1-N-Boc-piperidine-2-ethanol. The IUPAC name is tert-Butyl (2R)-2-(2-hydroxyethyl)piperidine-1-carboxylate. In addition, the formula is C₁₂H₂₃NO₃ and the molecular weight is 229.32.

Physical properties about 1-Piperidinecarboxylicacid, 2-(2-hydroxyethyl)-, 1,1-dimethylethyl ester, (2R)- are: (1)ACD/LogP: 1.38; (2)ACD/LogD (pH 5.5): 1.37; (3)ACD/LogD (pH 7.4): 1.37; (4)ACD/BCF (pH 5.5): 6.53; (5)ACD/BCF (pH 7.4): 6.53; (6)ACD/KOC (pH 5.5): 133.29; (7)ACD/KOC (pH 7.4): 133.29; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.478; (12)Molar Refractivity: 62.3 cm³; (13)Molar Volume: 219.7 cm³; (14)Surface Tension: 37.5 dyne/cm; (15)Density: 1.043 g/cm³; (16)Flash Point: 149.8 °C; (17)Enthalpy of Vaporization: 65.61 kJ/mol; (18)Boiling Point: 324.1 °C at 760 mmHg; (19)Vapour Pressure: 1.97E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: CC(C)(C)OC(=O)N1CCCCC1CCO
2. Isomeric SMILES: CC(C)(C)OC(=O)N1CCCC[C@@H]1CCO
3. InChI: InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-5-4-6-10(13)7-9-14/h10,14H,4-9H2,1-3H3/t10-/m1/s1
4. InChIKey: LTVQOFUGXMVESU-SNVBAGLBSA-N