5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline

C17H27N3 — CID 62368313

IUPAC5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
SMILESCc1ccc(CN2CCN(C3CCCC3)CC2)cc1N
InChIInChI=1S/C17H27N3/c1-14-6-7-15(12-17(14)18)13-19-8-10-20(11-9-19)16-4-2-3-5-16/h6-7,12,16H,2-5,8-11,13,18H2,1H3
InChIKeyPCOSXDDGWLKSEF-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.64
Rot. Bonds3

About 5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline

5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline (PubChem CID 62368313) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline.

Molecular Properties

Compound Name5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
PubChem CID62368313
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
SMILESCc1ccc(CN2CCN(C3CCCC3)CC2)cc1N
InChIInChI=1S/C17H27N3/c1-14-6-7-15(12-17(14)18)13-19-8-10-20(11-9-19)16-4-2-3-5-16/h6-7,12,16H,2-5,8-11,13,18H2,1H3
InChIKeyPCOSXDDGWLKSEF-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline
CID 62368664
5-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-2-bromoaniline
CID 115557249
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-methylaniline
CID 62930793
2-methyl-5-(1,4-oxazepan-4-ylmethyl)aniline
CID 62972113
1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63532635
5-[(3,4-dimethylpiperazin-1-yl)methyl]-2-methylaniline
CID 63621067
5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methylaniline
CID 28599320
1-cyclopentyl-4-[(4-ethylsulfanylphenyl)methyl]piperazine
CID 3764341
1-cycloheptyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 877620
1-[(3-amino-4-methylphenyl)methyl]-N,N-diethylpyrrolidin-3-amine
CID 55224176
2-[(4-cyclopentylpiperazin-1-yl)methyl]-5-methoxyaniline
CID 115414065
4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline
CID 155109173

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline?
The IUPAC name of 5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline (CID 62368313) is 5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline.
What is the SMILES notation for 5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline?
The canonical SMILES for 5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline is Cc1ccc(CN2CCN(C3CCCC3)CC2)cc1N.
What is the InChIKey of 5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline?
The InChIKey is PCOSXDDGWLKSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-6-7-15(12-17(14)18)13-19-8-10-20(11-9-19)16-4-2-3-5-16/h6-7,12,16H,2-5,8-11,13,18H2,1H3.
What are the key properties of 5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline?
5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline has a molecular weight of 273.42 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclopentylpiperazin-1-yl)methyl]-2-methylaniline is sourced from PubChem (CID 62368313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).