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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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).