(3S)-3-(4-bromophenyl)piperidin-2-one

C11H12BrNO — CID 86326200

IUPAC(3S)-3-(4-bromophenyl)piperidin-2-one
SMILESO=C1NCCC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c12-9-5-3-8(4-6-9)10-2-1-7-13-11(10)14/h3-6,10H,1-2,7H2,(H,13,14)/t10-/m0/s1
InChIKeyVFNRGZUNLYRMOP-JTQLQIEISA-N
MW254.13 g/mol
LogP2.44
Rot. Bonds1

About (3S)-3-(4-bromophenyl)piperidin-2-one

(3S)-3-(4-bromophenyl)piperidin-2-one (PubChem CID 86326200) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is (3S)-3-(4-bromophenyl)piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-(4-bromophenyl)piperidin-2-one
PubChem CID86326200
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name(3S)-3-(4-bromophenyl)piperidin-2-one
SMILESO=C1NCCC[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C11H12BrNO/c12-9-5-3-8(4-6-9)10-2-1-7-13-11(10)14/h3-6,10H,1-2,7H2,(H,13,14)/t10-/m0/s1
InChIKeyVFNRGZUNLYRMOP-JTQLQIEISA-N
XLogP2.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-[(4-bromophenyl)methyl]piperidin-2-one
CID 124593006
(3S)-3-(4-methoxyphenyl)pyrrolidin-2-one
CID 94827666
3-(4-ethylphenyl)pyrrolidin-2-one
CID 82125500
4-(4-bromophenyl)-3-methylidenepyrrolidin-2-one
CID 24905923
(3S)-3-(4-bromophenyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129404868
4-(4-bromophenyl)piperidine-2,5-dione
CID 82625295
1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 166113877
3-(2,3,5,6-tetramethylphenyl)piperidin-2-one
CID 82128738
3-(4-butylphenyl)pyrrolidin-2-one
CID 82127210
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]azepan-2-one
CID 81360127
(3R)-N-[(Z)-(4-bromophenyl)methylideneamino]-2-oxopiperidine-3-carboxamide
CID 5403260
(2S)-2-(4-bromophenyl)azetidine
CID 91980119

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-bromophenyl)piperidin-2-one?
The IUPAC name of (3S)-3-(4-bromophenyl)piperidin-2-one (CID 86326200) is (3S)-3-(4-bromophenyl)piperidin-2-one.
What is the SMILES notation for (3S)-3-(4-bromophenyl)piperidin-2-one?
The canonical SMILES for (3S)-3-(4-bromophenyl)piperidin-2-one is O=C1NCCC[C@H]1c1ccc(Br)cc1.
What is the InChIKey of (3S)-3-(4-bromophenyl)piperidin-2-one?
The InChIKey is VFNRGZUNLYRMOP-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12BrNO/c12-9-5-3-8(4-6-9)10-2-1-7-13-11(10)14/h3-6,10H,1-2,7H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-3-(4-bromophenyl)piperidin-2-one?
(3S)-3-(4-bromophenyl)piperidin-2-one has a molecular weight of 254.13 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-bromophenyl)piperidin-2-one is sourced from PubChem (CID 86326200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).