4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine

C18H28ClN3 — CID 68813544

IUPAC4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H28ClN3/c19-16-3-7-18(8-4-16)22-13-11-21(12-14-22)10-9-15-1-5-17(20)6-2-15/h3-4,7-8,15,17H,1-2,5-6,9-14,20H2
InChIKeyCPDKALXOFWZEJJ-UHFFFAOYSA-N
MW321.90 g/mol
LogP3.37
Rot. Bonds4

About 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine

4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 68813544) has the molecular formula C18H28ClN3 and a molecular weight of 321.90 g/mol. Its IUPAC name is 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID68813544
Molecular FormulaC18H28ClN3
Molecular Weight321.90 g/mol
Exact Mass321.20
IUPAC Name4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESNC1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C18H28ClN3/c19-16-3-7-18(8-4-16)22-13-11-21(12-14-22)10-9-15-1-5-17(20)6-2-15/h3-4,7-8,15,17H,1-2,5-6,9-14,20H2
InChIKeyCPDKALXOFWZEJJ-UHFFFAOYSA-N
XLogP3.37
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.90
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 60849989
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
4-[2-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68811439
2-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-ethoxyacetamide
CID 90939048
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]piperidin-1-yl]-(4-fluorophenyl)methanone;hydrochloride
CID 3042350
2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824658
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 79326592
1-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 118727897
4-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 23627585
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-methylethanamine
CID 43135360
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine (CID 68813544) is 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine is NC1CCC(CCN2CCN(c3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is CPDKALXOFWZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3/c19-16-3-7-18(8-4-16)22-13-11-21(12-14-22)10-9-15-1-5-17(20)6-2-15/h3-4,7-8,15,17H,1-2,5-6,9-14,20H2.
What are the key properties of 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 321.90 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 68813544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).