[4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine

C16H24BrN3 — CID 62368638

IUPAC[4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine
SMILESNCc1ccc(Br)cc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H24BrN3/c17-14-6-5-13(12-18)16(11-14)20-9-7-19(8-10-20)15-3-1-2-4-15/h5-6,11,15H,1-4,7-10,12,18H2
InChIKeyUBTRDAVBHWALRZ-UHFFFAOYSA-N
MW338.29 g/mol
LogP2.97
Rot. Bonds3

About [4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine

[4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine (PubChem CID 62368638) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is [4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine
PubChem CID62368638
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name[4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine
SMILESNCc1ccc(Br)cc1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H24BrN3/c17-14-6-5-13(12-18)16(11-14)20-9-7-19(8-10-20)15-3-1-2-4-15/h5-6,11,15H,1-4,7-10,12,18H2
InChIKeyUBTRDAVBHWALRZ-UHFFFAOYSA-N
XLogP2.97
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine?
The IUPAC name of [4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine (CID 62368638) is [4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine?
The canonical SMILES for [4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine is NCc1ccc(Br)cc1N1CCN(C2CCCC2)CC1.
What is the InChIKey of [4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine?
The InChIKey is UBTRDAVBHWALRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c17-14-6-5-13(12-18)16(11-14)20-9-7-19(8-10-20)15-3-1-2-4-15/h5-6,11,15H,1-4,7-10,12,18H2.
What are the key properties of [4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine?
[4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine has a molecular weight of 338.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine is sourced from PubChem (CID 62368638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).