(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one

C14H19NO2 — CID 122231032

IUPAC(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one
SMILESC[C@H](O)[C@H]1CCC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-11(16)13-7-8-14(17)15(10-13)9-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyYYHRJBAZBNDQFE-AAEUAGOBSA-N
MW233.31 g/mol
LogP1.81
Rot. Bonds3

About (5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one

(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one (PubChem CID 122231032) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one
PubChem CID122231032
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one
SMILESC[C@H](O)[C@H]1CCC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-11(16)13-7-8-14(17)15(10-13)9-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13-/m0/s1
InChIKeyYYHRJBAZBNDQFE-AAEUAGOBSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-4-benzyl-6-[(1R)-1-hydroxyethyl]thiomorpholin-3-one
CID 102317833
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
(6S)-1-benzyl-6-hydroxyazepan-2-one
CID 142998069
1-benzyl-4-[(2R)-1,1-difluoropropan-2-yl]pyrrolidin-2-one
CID 141420568
(5S)-1-benzyl-5-(dibenzylamino)piperidin-2-one
CID 10691445
(5S)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxypiperidin-2-one
CID 102262809
(5S)-1-benzyl-5-prop-2-enylpiperidin-2-one
CID 157327222
1-benzyl-5-[(2-bromophenyl)methyl]piperidin-2-one
CID 24776493
(4S)-1-benzyl-4-propan-2-ylpiperidin-2-one
CID 171430314
(3S)-1-benzyl-N-[(2R)-butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 34269419
4-[(1S)-1-amino-2-methoxyethyl]-1-benzylpyrrolidin-2-one
CID 139782002
1-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxylic acid
CID 55049168

Frequently Asked Questions

What is the IUPAC name of (5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one?
The IUPAC name of (5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one (CID 122231032) is (5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one.
What is the SMILES notation for (5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one?
The canonical SMILES for (5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one is C[C@H](O)[C@H]1CCC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one?
The InChIKey is YYHRJBAZBNDQFE-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(16)13-7-8-14(17)15(10-13)9-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13-/m0/s1.
What are the key properties of (5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one?
(5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-benzyl-5-[(1S)-1-hydroxyethyl]piperidin-2-one is sourced from PubChem (CID 122231032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).