4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine

C19H30ClN3 — CID 68811439

IUPAC4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESCc1ccc(N2CCN(CCC3CCC(N)CC3)CC2)cc1Cl
InChIInChI=1S/C19H30ClN3/c1-15-2-7-18(14-19(15)20)23-12-10-22(11-13-23)9-8-16-3-5-17(21)6-4-16/h2,7,14,16-17H,3-6,8-13,21H2,1H3
InChIKeyFNOYZPRCYQZKRQ-UHFFFAOYSA-N
MW335.92 g/mol
LogP3.68
Rot. Bonds4

About 4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine

4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 68811439) has the molecular formula C19H30ClN3 and a molecular weight of 335.92 g/mol. Its IUPAC name is 4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID68811439
Molecular FormulaC19H30ClN3
Molecular Weight335.92 g/mol
Exact Mass335.21
IUPAC Name4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESCc1ccc(N2CCN(CCC3CCC(N)CC3)CC2)cc1Cl
InChIInChI=1S/C19H30ClN3/c1-15-2-7-18(14-19(15)20)23-12-10-22(11-13-23)9-8-16-3-5-17(21)6-4-16/h2,7,14,16-17H,3-6,8-13,21H2,1H3
InChIKeyFNOYZPRCYQZKRQ-UHFFFAOYSA-N
XLogP3.68
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine (CID 68811439) is 4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine is Cc1ccc(N2CCN(CCC3CCC(N)CC3)CC2)cc1Cl.
What is the InChIKey of 4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is FNOYZPRCYQZKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3/c1-15-2-7-18(14-19(15)20)23-12-10-22(11-13-23)9-8-16-3-5-17(21)6-4-16/h2,7,14,16-17H,3-6,8-13,21H2,1H3.
What are the key properties of 4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 335.92 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 68811439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).