[2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine

C17H27N3 — CID 107105667

IUPAC[2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H27N3/c1-14-5-4-6-15(13-18)17(14)20-11-9-19(10-12-20)16-7-2-3-8-16/h4-6,16H,2-3,7-13,18H2,1H3
InChIKeyFYRWWNTVNLERRQ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.52
Rot. Bonds3

About [2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine

[2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine (PubChem CID 107105667) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is [2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine
PubChem CID107105667
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name[2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine
SMILESCc1cccc(CN)c1N1CCN(C2CCCC2)CC1
InChIInChI=1S/C17H27N3/c1-14-5-4-6-15(13-18)17(14)20-11-9-19(10-12-20)16-7-2-3-8-16/h4-6,16H,2-3,7-13,18H2,1H3
InChIKeyFYRWWNTVNLERRQ-UHFFFAOYSA-N
XLogP2.52
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-methylphenyl]methanamine
CID 107105553
1-cyclohexyl-3-(2,6-dimethylphenyl)imidazolidine
CID 102228956
[3-methyl-2-(2-methylpiperidin-1-yl)phenyl]methanamine
CID 107105459
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylaniline
CID 115550711
2-[2-(aminomethyl)-6-methylphenyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 107105775
[2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine
CID 107105560
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-methylphenyl]methanamine
CID 107105834
[2-(2,6-dimethylthiomorpholin-4-yl)-3-methylphenyl]methanamine
CID 107105724
[4-bromo-2-(4-cyclopentylpiperazin-1-yl)phenyl]methanamine
CID 62368638
1-(4-cyclopentylpiperazin-1-yl)-2-(2-methylphenyl)ethanone
CID 110708909
1-[2-(aminomethyl)-6-methylphenyl]-N-methylpiperidine-3-carboxamide
CID 107105854
cyclohexyl-[4-(2-ethyl-6-methylphenyl)piperazin-1-yl]methanone
CID 113075979

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine?
The IUPAC name of [2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine (CID 107105667) is [2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine.
What is the SMILES notation for [2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine?
The canonical SMILES for [2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine is Cc1cccc(CN)c1N1CCN(C2CCCC2)CC1.
What is the InChIKey of [2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine?
The InChIKey is FYRWWNTVNLERRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-5-4-6-15(13-18)17(14)20-11-9-19(10-12-20)16-7-2-3-8-16/h4-6,16H,2-3,7-13,18H2,1H3.
What are the key properties of [2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine?
[2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclopentylpiperazin-1-yl)-3-methylphenyl]methanamine is sourced from PubChem (CID 107105667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).