[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine

C17H26ClN3 — CID 64500520

IUPAC[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C17H26ClN3/c1-14-5-6-17(12-14,13-19)21-9-7-20(8-10-21)16-4-2-3-15(18)11-16/h2-4,11,14H,5-10,12-13,19H2,1H3
InChIKeyNJCHFEKSNWHBPR-UHFFFAOYSA-N
MW307.87 g/mol
LogP2.98
Rot. Bonds3

About [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine

[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine (PubChem CID 64500520) has the molecular formula C17H26ClN3 and a molecular weight of 307.87 g/mol. Its IUPAC name is [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
PubChem CID64500520
Molecular FormulaC17H26ClN3
Molecular Weight307.87 g/mol
Exact Mass307.18
IUPAC Name[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
SMILESCC1CCC(CN)(N2CCN(c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C17H26ClN3/c1-14-5-6-17(12-14,13-19)21-9-7-20(8-10-21)16-4-2-3-15(18)11-16/h2-4,11,14H,5-10,12-13,19H2,1H3
InChIKeyNJCHFEKSNWHBPR-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

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Related Compounds

[1-[4-(4-fluorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine
CID 64500314
[1-(4,4-dimethylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500940
[1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500748
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
[5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 79950571
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 9161461
N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077
[2-[4-(3-chlorophenyl)piperazin-1-yl]cyclobutyl]methanamine
CID 80997683
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-cyclopropylpropan-2-amine
CID 60866133
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467

Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine?
The IUPAC name of [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine (CID 64500520) is [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine.
What is the SMILES notation for [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine?
The canonical SMILES for [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine is CC1CCC(CN)(N2CCN(c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine?
The InChIKey is NJCHFEKSNWHBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3/c1-14-5-6-17(12-14,13-19)21-9-7-20(8-10-21)16-4-2-3-15(18)11-16/h2-4,11,14H,5-10,12-13,19H2,1H3.
What are the key properties of [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine?
[1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine 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 [1-[4-(3-chlorophenyl)piperazin-1-yl]-3-methylcyclopentyl]methanamine is sourced from PubChem (CID 64500520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).