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

C17H25NO2 — CID 15923314

IUPAC(6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
SMILESCCCC[C@@H]1CCCC(=O)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-3-10-15-11-7-12-17(20)18(15)16(13-19)14-8-5-4-6-9-14/h4-6,8-9,15-16,19H,2-3,7,10-13H2,1H3/t15-,16+/m1/s1
InChIKeyYXCYHMVZDNFDCG-CVEARBPZSA-N
MW275.39 g/mol
LogP3.29
Rot. Bonds6

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

(6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one (PubChem CID 15923314) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one.

Molecular Properties

Compound Name(6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
PubChem CID15923314
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
SMILESCCCC[C@@H]1CCCC(=O)N1[C@@H](CO)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-2-3-10-15-11-7-12-17(20)18(15)16(13-19)14-8-5-4-6-9-14/h4-6,8-9,15-16,19H,2-3,7,10-13H2,1H3/t15-,16+/m1/s1
InChIKeyYXCYHMVZDNFDCG-CVEARBPZSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3861124
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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)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The IUPAC name of (6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one (CID 15923314) is (6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one.
What is the SMILES notation for (6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The canonical SMILES for (6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one is CCCC[C@@H]1CCCC(=O)N1[C@@H](CO)c1ccccc1.
What is the InChIKey of (6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
The InChIKey is YXCYHMVZDNFDCG-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-3-10-15-11-7-12-17(20)18(15)16(13-19)14-8-5-4-6-9-14/h4-6,8-9,15-16,19H,2-3,7,10-13H2,1H3/t15-,16+/m1/s1.
What are the key properties of (6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one?
(6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one has a molecular weight of 275.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one is sourced from PubChem (CID 15923314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).