2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine

C17H26ClN3 — CID 82759606

IUPAC2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine
SMILESCC1(CN2CCN(c3ccccc3Cl)CC2)CCCC1N
InChIInChI=1S/C17H26ClN3/c1-17(8-4-7-16(17)19)13-20-9-11-21(12-10-20)15-6-3-2-5-14(15)18/h2-3,5-6,16H,4,7-13,19H2,1H3
InChIKeyBDSQNWJRJSVULR-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.98
Rot. Bonds3

About 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine

2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine (PubChem CID 82759606) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine
PubChem CID82759606
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine
SMILESCC1(CN2CCN(c3ccccc3Cl)CC2)CCCC1N
InChIInChI=1S/C17H26ClN3/c1-17(8-4-7-16(17)19)13-20-9-11-21(12-10-20)15-6-3-2-5-14(15)18/h2-3,5-6,16H,4,7-13,19H2,1H3
InChIKeyBDSQNWJRJSVULR-UHFFFAOYSA-N
XLogP2.98
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.87
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)cyclopentan-1-amine
CID 82768575
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine
CID 82767653
[1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentyl]methanamine
CID 62262521
1-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]cyclopentane-1-carbaldehyde
CID 62276949
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methylcyclopentan-1-amine
CID 82768579
2-methyl-2-[(4-propylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 82767673
2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylcyclopentan-1-amine
CID 82767301
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 107456168
[1-(2-chlorophenyl)-3,3-dimethylpiperidin-4-yl]methanamine
CID 117024878
4-[4-(2-chlorophenyl)piperazin-1-yl]butan-2-amine
CID 60842133
1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 93022446
2-[4-(2-chlorophenyl)piperazin-1-yl]ethanethioamide
CID 43118126

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine (CID 82759606) is 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine is CC1(CN2CCN(c3ccccc3Cl)CC2)CCCC1N.
What is the InChIKey of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine?
The InChIKey is BDSQNWJRJSVULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-17(8-4-7-16(17)19)13-20-9-11-21(12-10-20)15-6-3-2-5-14(15)18/h2-3,5-6,16H,4,7-13,19H2,1H3.
What are the key properties of 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine?
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine has a molecular weight of 307.87 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 82759606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).