(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one

C15H21NO2 — CID 101333052

IUPAC(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
SMILESCC(C)(O)[C@@H]1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-15(2,18)13-9-6-10-14(17)16(13)11-12-7-4-3-5-8-12/h3-5,7-8,13,18H,6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyYJEXYPKPWCHLAQ-ZDUSSCGKSA-N
MW247.34 g/mol
LogP2.34
Rot. Bonds3

About (6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one

(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one (PubChem CID 101333052) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one.

Molecular Properties

Compound Name(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
PubChem CID101333052
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
SMILESCC(C)(O)[C@@H]1CCCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H21NO2/c1-15(2,18)13-9-6-10-14(17)16(13)11-12-7-4-3-5-8-12/h3-5,7-8,13,18H,6,9-11H2,1-2H3/t13-/m0/s1
InChIKeyYJEXYPKPWCHLAQ-ZDUSSCGKSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(5S)-1-benzyl-5-(1,1-dihydroxyethyl)pyrrolidin-2-one
CID 22845684
(5S)-1-benzyl-5-tert-butylpyrrolidin-2-one
CID 141337970
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
1-ethyl-6-(2-hydroxypropan-2-yl)piperidin-2-one
CID 178099518
(6S)-1-benzyl-6-propanoylpiperidin-2-one
CID 134835246
1-benzyl-6-methoxypiperidin-2-one
CID 10036374
(5S)-1-benzyl-5-(hydroxymethyl)pyrrolidin-2-one
CID 10442943
1-[(3-methylphenyl)methyl]-6-(trifluoromethyl)piperidin-2-one
CID 177029919
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
(6R)-1-benzyl-6-prop-2-enylpiperidin-2-one
CID 102262811
(5S,6R)-1-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-6-(hydroxymethyl)piperidin-2-one
CID 10337911
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161

Frequently Asked Questions

What is the IUPAC name of (6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one?
The IUPAC name of (6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one (CID 101333052) is (6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one.
What is the SMILES notation for (6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one?
The canonical SMILES for (6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one is CC(C)(O)[C@@H]1CCCC(=O)N1Cc1ccccc1.
What is the InChIKey of (6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one?
The InChIKey is YJEXYPKPWCHLAQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(2,18)13-9-6-10-14(17)16(13)11-12-7-4-3-5-8-12/h3-5,7-8,13,18H,6,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of (6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one?
(6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-benzyl-6-(2-hydroxypropan-2-yl)piperidin-2-one is sourced from PubChem (CID 101333052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).