3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine

C15H22ClN3 — CID 79468286

IUPAC3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine
SMILESNC1CCC(N2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C15H22ClN3/c16-14-3-1-2-4-15(14)19-9-7-18(8-10-19)13-6-5-12(17)11-13/h1-4,12-13H,5-11,17H2
InChIKeyGWYNLDIHVTWIRB-UHFFFAOYSA-N
MW279.81 g/mol
LogP2.34
Rot. Bonds2

About 3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine

3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine (PubChem CID 79468286) has the molecular formula C15H22ClN3 and a molecular weight of 279.81 g/mol. Its IUPAC name is 3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine
PubChem CID79468286
Molecular FormulaC15H22ClN3
Molecular Weight279.81 g/mol
Exact Mass279.15
IUPAC Name3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine
SMILESNC1CCC(N2CCN(c3ccccc3Cl)CC2)C1
InChIInChI=1S/C15H22ClN3/c16-14-3-1-2-4-15(14)19-9-7-18(8-10-19)13-6-5-12(17)11-13/h1-4,12-13H,5-11,17H2
InChIKeyGWYNLDIHVTWIRB-UHFFFAOYSA-N
XLogP2.34
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine?
The IUPAC name of 3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine (CID 79468286) is 3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine.
What is the SMILES notation for 3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine?
The canonical SMILES for 3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine is NC1CCC(N2CCN(c3ccccc3Cl)CC2)C1.
What is the InChIKey of 3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine?
The InChIKey is GWYNLDIHVTWIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3/c16-14-3-1-2-4-15(14)19-9-7-18(8-10-19)13-6-5-12(17)11-13/h1-4,12-13H,5-11,17H2.
What are the key properties of 3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine?
3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine has a molecular weight of 279.81 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenyl)piperazin-1-yl]cyclopentan-1-amine is sourced from PubChem (CID 79468286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).