N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine

C17H25BrN2 — CID 170453756

IUPACN-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine
SMILESBrc1ccc(CNC2CCCC2)c(N2CCCCC2)c1
InChIInChI=1S/C17H25BrN2/c18-15-9-8-14(13-19-16-6-2-3-7-16)17(12-15)20-10-4-1-5-11-20/h8-9,12,16,19H,1-7,10-11,13H2
InChIKeyXTNQVHSCSCWRNL-UHFFFAOYSA-N
MW337.31 g/mol
LogP4.47
Rot. Bonds4

About N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine

N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine (PubChem CID 170453756) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine
PubChem CID170453756
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC NameN-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine
SMILESBrc1ccc(CNC2CCCC2)c(N2CCCCC2)c1
InChIInChI=1S/C17H25BrN2/c18-15-9-8-14(13-19-16-6-2-3-7-16)17(12-15)20-10-4-1-5-11-20/h8-9,12,16,19H,1-7,10-11,13H2
InChIKeyXTNQVHSCSCWRNL-UHFFFAOYSA-N
XLogP4.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine 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

N-[[4-bromo-2-(1,4-oxazepan-4-yl)phenyl]methyl]cyclopropanamine
CID 55153715
1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 43586310
1-(4-bromo-2-piperidin-1-ylphenyl)-N-methylmethanamine
CID 43281124
N-[(4-bromo-2-chlorophenyl)methyl]cyclopentanamine
CID 60984566
N-[[2-(azepan-1-yl)-4-bromophenyl]methyl]-2-methylpropan-2-amine
CID 63566560
1-[5-bromo-2-(chloromethyl)phenyl]azocane
CID 43365159
N-[(2,4-dibromophenyl)methyl]cyclopentanamine
CID 107938680
1-[1-[5-bromo-2-[(cyclopropylamino)methyl]phenyl]piperidin-4-yl]ethanol
CID 106836686
N-[[4-bromo-2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]cyclopropanamine
CID 62205571
1-[5-bromo-2-(chloromethyl)phenyl]pyrrolidine
CID 43365127
N-[[4-bromo-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 103535831
N-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 43280272

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine?
The IUPAC name of N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine (CID 170453756) is N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine?
The canonical SMILES for N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine is Brc1ccc(CNC2CCCC2)c(N2CCCCC2)c1.
What is the InChIKey of N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine?
The InChIKey is XTNQVHSCSCWRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c18-15-9-8-14(13-19-16-6-2-3-7-16)17(12-15)20-10-4-1-5-11-20/h8-9,12,16,19H,1-7,10-11,13H2.
What are the key properties of N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine?
N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine has a molecular weight of 337.31 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-piperidin-1-ylphenyl)methyl]cyclopentanamine is sourced from PubChem (CID 170453756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).