(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one

C16H23NO2 — CID 15923313

IUPAC(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one
SMILESCCC[C@@H]1CCCC(=O)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-7-14-10-6-11-16(19)17(14)15(12-18)13-8-4-3-5-9-13/h3-5,8-9,14-15,18H,2,6-7,10-12H2,1H3/t14-,15+/m1/s1
InChIKeyPCWQUOPPGMJTRQ-CABCVRRESA-N
MW261.36 g/mol
LogP2.90
Rot. Bonds5

About (6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one

(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one (PubChem CID 15923313) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one.

Molecular Properties

Compound Name(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one
PubChem CID15923313
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one
SMILESCCC[C@@H]1CCCC(=O)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-2-7-14-10-6-11-16(19)17(14)15(12-18)13-8-4-3-5-9-13/h3-5,8-9,14-15,18H,2,6-7,10-12H2,1H3/t14-,15+/m1/s1
InChIKeyPCWQUOPPGMJTRQ-CABCVRRESA-N
XLogP2.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

alpha-(Acetylmethylamino)-benzeneacetic acid
CID 3861124
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(Z,12R)-12-hydroxy-N-[(1S)-1-phenylethyl]octadec-9-enamide
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N-(2-hydroxy-1-phenylethyl)-2,2-dimethylbutanamide
CID 55157876
1-Piperidineethanol, beta-phenyl-
CID 199647
4-[(1S)-2-hydroxy-1-phenylethyl]-1-propyl-1,4-diazepan-5-one
CID 24761236
N-[(2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761779
N-((2S,4S,5R)-1-acetyl-5-(hydroxymethyl)-2-phenylpiperidin-4-yl)-N-methylcyclohexanecarboxamide
CID 51360903
2,2-Dimethyl-1-(3-phenylmorpholin-4-yl)propan-1-one
CID 110728326
(12R)-12-Hydroxy-N-[(1R)-1-phenylethyl]octadec-9-enamide
CID 49864758
2-Phenyl-2-(piperidin-1-yl)acetic acid
CID 408627

Frequently Asked Questions

What is the IUPAC name of (6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one?
The IUPAC name of (6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one (CID 15923313) is (6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one.
What is the SMILES notation for (6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one?
The canonical SMILES for (6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one is CCC[C@@H]1CCCC(=O)N1[C@@H](CO)c1ccccc1.
What is the InChIKey of (6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one?
The InChIKey is PCWQUOPPGMJTRQ-CABCVRRESA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-7-14-10-6-11-16(19)17(14)15(12-18)13-8-4-3-5-9-13/h3-5,8-9,14-15,18H,2,6-7,10-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of (6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one?
(6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one has a molecular weight of 261.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-[(1R)-2-hydroxy-1-phenylethyl]-6-propylpiperidin-2-one is sourced from PubChem (CID 15923313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).