1-[(3-bromophenyl)methyl]piperidin-2-one

C12H14BrNO — CID 54595177

IUPAC1-[(3-bromophenyl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1cccc(Br)c1
InChIInChI=1S/C12H14BrNO/c13-11-5-3-4-10(8-11)9-14-7-2-1-6-12(14)15/h3-5,8H,1-2,6-7,9H2
InChIKeyKKSWYSNCHULVTO-UHFFFAOYSA-N
MW268.15 g/mol
LogP2.96
Rot. Bonds2

About 1-[(3-bromophenyl)methyl]piperidin-2-one

1-[(3-bromophenyl)methyl]piperidin-2-one (PubChem CID 54595177) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]piperidin-2-one
PubChem CID54595177
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-[(3-bromophenyl)methyl]piperidin-2-one
SMILESO=C1CCCCN1Cc1cccc(Br)c1
InChIInChI=1S/C12H14BrNO/c13-11-5-3-4-10(8-11)9-14-7-2-1-6-12(14)15/h3-5,8H,1-2,6-7,9H2
InChIKeyKKSWYSNCHULVTO-UHFFFAOYSA-N
XLogP2.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]piperidin-2-one?
The IUPAC name of 1-[(3-bromophenyl)methyl]piperidin-2-one (CID 54595177) is 1-[(3-bromophenyl)methyl]piperidin-2-one.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]piperidin-2-one?
The canonical SMILES for 1-[(3-bromophenyl)methyl]piperidin-2-one is O=C1CCCCN1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]piperidin-2-one?
The InChIKey is KKSWYSNCHULVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c13-11-5-3-4-10(8-11)9-14-7-2-1-6-12(14)15/h3-5,8H,1-2,6-7,9H2.
What are the key properties of 1-[(3-bromophenyl)methyl]piperidin-2-one?
1-[(3-bromophenyl)methyl]piperidin-2-one has a molecular weight of 268.15 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]piperidin-2-one is sourced from PubChem (CID 54595177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).