2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one

C15H20BrClN2O — CID 115652632

IUPAC2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1ccc(Br)cc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C15H20BrClN2O/c1-11(15(20)19-7-3-2-4-8-19)18-10-12-5-6-13(16)9-14(12)17/h5-6,9,11,18H,2-4,7-8,10H2,1H3
InChIKeyMNIYCKMVTVTBEB-UHFFFAOYSA-N
MW359.70 g/mol
LogP3.59
Rot. Bonds4

About 2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one

2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 115652632) has the molecular formula C15H20BrClN2O and a molecular weight of 359.70 g/mol. Its IUPAC name is 2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID115652632
Molecular FormulaC15H20BrClN2O
Molecular Weight359.70 g/mol
Exact Mass358.04
IUPAC Name2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1ccc(Br)cc1Cl)C(=O)N1CCCCC1
InChIInChI=1S/C15H20BrClN2O/c1-11(15(20)19-7-3-2-4-8-19)18-10-12-5-6-13(16)9-14(12)17/h5-6,9,11,18H,2-4,7-8,10H2,1H3
InChIKeyMNIYCKMVTVTBEB-UHFFFAOYSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.70
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2-chlorophenyl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115595203
2-[(2-chloro-4-methylphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 106863116
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
3-chloro-4-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]benzonitrile
CID 102665017
2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60932132
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
2-[(3-chloro-2-fluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115664155
1-pyrrolidin-1-yl-2-[(2,3,4-trihydroxyphenyl)methylamino]propan-1-one
CID 107731003
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
2-[(4-bromo-2-chlorophenyl)methylamino]-N-propylpropanamide
CID 113242861
2-[(2,4-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 62050086
2-[(4-bromothiophen-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866286

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 115652632) is 2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one is CC(NCc1ccc(Br)cc1Cl)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is MNIYCKMVTVTBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClN2O/c1-11(15(20)19-7-3-2-4-8-19)18-10-12-5-6-13(16)9-14(12)17/h5-6,9,11,18H,2-4,7-8,10H2,1H3.
What are the key properties of 2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 359.70 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 115652632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).