(6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one

C15H21NO2 — CID 134858178

IUPAC(6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one
SMILESCC[C@H](O)[C@@H]1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-14(17)13-9-6-10-15(18)16(13)11-12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,2,6,9-11H2,1H3/t13-,14-/m0/s1
InChIKeyCTWMWFUFSUBODM-KBPBESRZSA-N
MW247.34 g/mol
LogP2.34
Rot. Bonds4

About (6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one

(6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one (PubChem CID 134858178) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one.

Molecular Properties

Compound Name(6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one
PubChem CID134858178
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one
SMILESCC[C@H](O)[C@@H]1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-2-14(17)13-9-6-10-15(18)16(13)11-12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,2,6,9-11H2,1H3/t13-,14-/m0/s1
InChIKeyCTWMWFUFSUBODM-KBPBESRZSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Benzyl-6-hydroxy-2-azabicyclo(2.2.2)octan-3-one
CID 2802924
(Z,12R)-12-hydroxy-N-[(1S)-1-phenylethyl]octadec-9-enamide
CID 49864759
4-Hydroxy-1-(phenylmethyl)-2-piperidinone
CID 13610001
(3-Hydroxy-1-piperidinyl)phenylmethanone
CID 14920287
[4-(2-Hydroxy-cyclohexyl)-piperazin-1-yl]-phenyl-methanone
CID 15925885
(12R)-12-Hydroxy-N-[(1R)-1-phenylethyl]octadec-9-enamide
CID 49864758
N-[(1R)-2-hydroxy-1-phenylethyl]octanamide
CID 44382914
N-(2-hydroxy-1-phenylethyl)-N,2,2-trimethylbutanamide
CID 121446752
(3S,5R,6R)-1,3,6-Tribenzyl-5-hydroxy-piperidin-2-one
CID 468424
1-[(2S,4R)-4-hydroxy-2-phenylpyrrolidin-1-yl]-2,2-dimethylbutan-1-one
CID 121446477
Morpholine, 2,5-dimethyl-3-phenyl-4-(2-propylvaleryl)-
CID 3064263
trans-N-benzyl-N-(2-cyclohex-1-en-1-ylethyl)-3-hydroxycyclohexanecarboxamide
CID 91763680

Frequently Asked Questions

What is the IUPAC name of (6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one?
The IUPAC name of (6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one (CID 134858178) is (6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one.
What is the SMILES notation for (6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one?
The canonical SMILES for (6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one is CC[C@H](O)[C@@H]1CCCC(=O)N1Cc1ccccc1.
What is the InChIKey of (6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one?
The InChIKey is CTWMWFUFSUBODM-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-14(17)13-9-6-10-15(18)16(13)11-12-7-4-3-5-8-12/h3-5,7-8,13-14,17H,2,6,9-11H2,1H3/t13-,14-/m0/s1.
What are the key properties of (6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one?
(6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-benzyl-6-[(1S)-1-hydroxypropyl]piperidin-2-one is sourced from PubChem (CID 134858178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).