2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone

C14H19BrN2O — CID 83749694

IUPAC2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCCN(C(=O)Cc2ccccc2Br)C1
InChIInChI=1S/C14H19BrN2O/c1-16-12-6-4-8-17(10-12)14(18)9-11-5-2-3-7-13(11)15/h2-3,5,7,12,16H,4,6,8-10H2,1H3
InChIKeyRUILVXFVTIBWCH-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.20
Rot. Bonds3

About 2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone

2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone (PubChem CID 83749694) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
PubChem CID83749694
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
SMILESCNC1CCCN(C(=O)Cc2ccccc2Br)C1
InChIInChI=1S/C14H19BrN2O/c1-16-12-6-4-8-17(10-12)14(18)9-11-5-2-3-7-13(11)15/h2-3,5,7,12,16H,4,6,8-10H2,1H3
InChIKeyRUILVXFVTIBWCH-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-1-[(3R)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 124575658
2-(2-hydroxyphenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 80740895
1-[(3S)-3-(methylamino)piperidin-1-yl]-2-(2-propan-2-yloxyphenyl)ethanone
CID 124574868
2-(2-bromo-4-nitrophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119489922
1-[3-(methylamino)pyrrolidin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119259854
3-(2-chlorophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488394
2-(2-bromophenyl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002935
2-(2,5-difluorophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119490122
3-(2-methoxyphenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119488395
1-[3-(methylamino)piperidin-1-yl]-2-[4-(2-methylpropyl)phenyl]ethanone
CID 119491030
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
3-(4-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119492298

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone (CID 83749694) is 2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone is CNC1CCCN(C(=O)Cc2ccccc2Br)C1.
What is the InChIKey of 2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone?
The InChIKey is RUILVXFVTIBWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-16-12-6-4-8-17(10-12)14(18)9-11-5-2-3-7-13(11)15/h2-3,5,7,12,16H,4,6,8-10H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone?
2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone has a molecular weight of 311.22 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-[3-(methylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 83749694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).