N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine

C17H25BrN2 — CID 90423096

IUPACN-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
SMILESBrc1ccc(CNC2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C17H25BrN2/c18-15-7-5-14(6-8-15)13-19-16-9-11-20(12-10-16)17-3-1-2-4-17/h5-8,16-17,19H,1-4,9-13H2
InChIKeyKXEVUMGAYPCXOO-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.95
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine

N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine (PubChem CID 90423096) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
PubChem CID90423096
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC NameN-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine
SMILESBrc1ccc(CNC2CCN(C3CCCC3)CC2)cc1
InChIInChI=1S/C17H25BrN2/c18-15-7-5-14(6-8-15)13-19-16-9-11-20(12-10-16)17-3-1-2-4-17/h5-8,16-17,19H,1-4,9-13H2
InChIKeyKXEVUMGAYPCXOO-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromophenyl)methyl]cyclopentanamine;hydrochloride
CID 17289669
N-[(4-bromophenyl)methyl]cycloheptanamine;hydrochloride
CID 17294485
1-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 43234139
1-[(4-bromophenyl)methyl]-3-(1-cyclohexylpiperidin-4-yl)-2-methylguanidine
CID 111978526
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]benzonitrile
CID 43747011
N-[(4-bromo-3-chlorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 103581523
N-[(4-fluorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-amine
CID 156782389
N-[[4-(4-bromophenoxy)phenyl]methyl]cyclopropanamine
CID 43282937
(1-cyclobutylpiperidin-4-yl)-[4-[(cyclopentylamino)methyl]phenyl]methanol
CID 71271163
N-[(3S)-1-cyclobutylpyrrolidin-3-yl]-4-[(cyclopentylamino)methyl]benzenesulfonamide
CID 86338649
1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43234150
1-cyclopropyl-N-[(3,5-dibromo-4-methoxyphenyl)methyl]piperidin-4-amine
CID 43612748

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine (CID 90423096) is N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine is Brc1ccc(CNC2CCN(C3CCCC3)CC2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine?
The InChIKey is KXEVUMGAYPCXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c18-15-7-5-14(6-8-15)13-19-16-9-11-20(12-10-16)17-3-1-2-4-17/h5-8,16-17,19H,1-4,9-13H2.
What are the key properties of N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine?
N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine has a molecular weight of 337.31 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-cyclopentylpiperidin-4-amine is sourced from PubChem (CID 90423096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).