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

C17H25BrN2 — CID 119128198

IUPAC1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine
SMILESBrc1ccc(CN2CCC(NC3CCCC3)CC2)cc1
InChIInChI=1S/C17H25BrN2/c18-15-7-5-14(6-8-15)13-20-11-9-17(10-12-20)19-16-3-1-2-4-16/h5-8,16-17,19H,1-4,9-13H2
InChIKeyHHTRIWPYIRBPNV-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.95
Rot. Bonds4

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

1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine (PubChem CID 119128198) has the molecular formula C17H25BrN2 and a molecular weight of 337.31 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine
PubChem CID119128198
Molecular FormulaC17H25BrN2
Molecular Weight337.31 g/mol
Exact Mass336.12
IUPAC Name1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine
SMILESBrc1ccc(CN2CCC(NC3CCCC3)CC2)cc1
InChIInChI=1S/C17H25BrN2/c18-15-7-5-14(6-8-15)13-20-11-9-17(10-12-20)19-16-3-1-2-4-16/h5-8,16-17,19H,1-4,9-13H2
InChIKeyHHTRIWPYIRBPNV-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

1-(2-(2-Bromophenyl)-1-phenylethyl)piperazine
CID 44414750
1-[(4-Bromophenyl)methyl]piperazine
CID 876494
1-Benzyl-N-(2-cyclopentylidene-2-fluoroethyl)-4-piperidinamine
CID 23646086
1-[(4-Bromophenyl)(phenyl)methyl]piperazine
CID 3704699
[2-(4-Bromo-phenyl)-1-methyl-ethyl]-(3-phenyl-propyl)-amine
CID 15061898
4-Bromo-N,N-diisopropylbenzylamine
CID 598770
N-benzyl-1-(4-bromophenyl)methanamine
CID 3876431
2-(4-Bromophenyl)pyrrolidine
CID 4281494
1-(4-Bromobenzyl)piperidine
CID 16495045
1-(3-Bromobenzyl)piperazine
CID 876852
N-(4-bromobenzyl)prop-2-en-1-amine
CID 4717878
N-(3-bromobenzyl)-1-(2-phenylethyl)-4-piperidinamine
CID 6456385

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine (CID 119128198) is 1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine is Brc1ccc(CN2CCC(NC3CCCC3)CC2)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine?
The InChIKey is HHTRIWPYIRBPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2/c18-15-7-5-14(6-8-15)13-20-11-9-17(10-12-20)19-16-3-1-2-4-16/h5-8,16-17,19H,1-4,9-13H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine?
1-[(4-bromophenyl)methyl]-N-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 1-[(4-bromophenyl)methyl]-N-cyclopentylpiperidin-4-amine is sourced from PubChem (CID 119128198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).