2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one

C15H21BrN2O — CID 60931628

IUPAC2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1cccc(Br)c1)C(=O)N1CCCCC1
InChIInChI=1S/C15H21BrN2O/c1-12(15(19)18-8-3-2-4-9-18)17-11-13-6-5-7-14(16)10-13/h5-7,10,12,17H,2-4,8-9,11H2,1H3
InChIKeyJNBCAYJWUFCZAI-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.94
Rot. Bonds4

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

2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one (PubChem CID 60931628) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
PubChem CID60931628
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1cccc(Br)c1)C(=O)N1CCCCC1
InChIInChI=1S/C15H21BrN2O/c1-12(15(19)18-8-3-2-4-9-18)17-11-13-6-5-7-14(16)10-13/h5-7,10,12,17H,2-4,8-9,11H2,1H3
InChIKeyJNBCAYJWUFCZAI-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-2-[(3-chlorophenyl)methylamino]propan-1-one
CID 60677398
2-[(3-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615288
(2S)-2-[(3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 94613388
2-[(5-bromo-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 104797141
2-[(4-bromo-2-chlorophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 115652632
N-[(3-bromophenyl)methyl]azepane-1-carboxamide
CID 60605583
2-[(5-bromothiophen-3-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866261
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 115588889
2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide
CID 61401079
2-[(5-bromo-2-methoxyphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60932132
2-[3-[[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]methyl]phenoxy]acetonitrile
CID 115625474
2-[(4-bromothiophen-2-yl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 54866286

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one (CID 60931628) is 2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one is CC(NCc1cccc(Br)c1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is JNBCAYJWUFCZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-12(15(19)18-8-3-2-4-9-18)17-11-13-6-5-7-14(16)10-13/h5-7,10,12,17H,2-4,8-9,11H2,1H3.
What are the key properties of 2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one?
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 325.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60931628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).