2-(3-bromophenyl)-1-piperidin-2-ylethanone

C13H16BrNO — CID 116547857

IUPAC2-(3-bromophenyl)-1-piperidin-2-ylethanone
SMILESO=C(Cc1cccc(Br)c1)C1CCCCN1
InChIInChI=1S/C13H16BrNO/c14-11-5-3-4-10(8-11)9-13(16)12-6-1-2-7-15-12/h3-5,8,12,15H,1-2,6-7,9H2
InChIKeyIDEGTRNKGZFQHH-UHFFFAOYSA-N
MW282.18 g/mol
LogP2.70
Rot. Bonds3

About 2-(3-bromophenyl)-1-piperidin-2-ylethanone

2-(3-bromophenyl)-1-piperidin-2-ylethanone (PubChem CID 116547857) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-piperidin-2-ylethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-piperidin-2-ylethanone
PubChem CID116547857
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC Name2-(3-bromophenyl)-1-piperidin-2-ylethanone
SMILESO=C(Cc1cccc(Br)c1)C1CCCCN1
InChIInChI=1S/C13H16BrNO/c14-11-5-3-4-10(8-11)9-13(16)12-6-1-2-7-15-12/h3-5,8,12,15H,1-2,6-7,9H2
InChIKeyIDEGTRNKGZFQHH-UHFFFAOYSA-N
XLogP2.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-2-yl)-2-(3-fluorophenyl)ethanone
CID 116582471
2-(3-bromo-5-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547767
1-(azepan-2-yl)-2-(3-methoxyphenyl)ethanone
CID 116582555
(2S)-N-[(3-bromophenyl)methyl]-N-methylpiperidine-2-carboxamide;hydrochloride
CID 119717187
1-(azepan-2-yl)-2-(3-bromo-5-fluorophenyl)ethanone
CID 116582543
N-[1-(3-bromophenyl)propan-2-yl]piperidine-2-carboxamide
CID 119298778
2-(5-bromo-2-fluorophenyl)-1-piperidin-2-ylethanone
CID 116547913
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
2-(4-ethylphenyl)-1-piperidin-2-ylethanone
CID 116547776
2-(2-amino-4-pyridinyl)-1-piperidin-2-ylethanone
CID 116547813
[2-(3-bromophenyl)pyrrolidin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 104913404

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-piperidin-2-ylethanone?
The IUPAC name of 2-(3-bromophenyl)-1-piperidin-2-ylethanone (CID 116547857) is 2-(3-bromophenyl)-1-piperidin-2-ylethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-piperidin-2-ylethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-piperidin-2-ylethanone is O=C(Cc1cccc(Br)c1)C1CCCCN1.
What is the InChIKey of 2-(3-bromophenyl)-1-piperidin-2-ylethanone?
The InChIKey is IDEGTRNKGZFQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c14-11-5-3-4-10(8-11)9-13(16)12-6-1-2-7-15-12/h3-5,8,12,15H,1-2,6-7,9H2.
What are the key properties of 2-(3-bromophenyl)-1-piperidin-2-ylethanone?
2-(3-bromophenyl)-1-piperidin-2-ylethanone has a molecular weight of 282.18 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-piperidin-2-ylethanone is sourced from PubChem (CID 116547857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).