1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine

C16H23ClN2 — CID 64926315

IUPAC1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
SMILESCC(c1cccc(Cl)c1)N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C16H23ClN2/c1-12(13-4-3-5-15(17)10-13)19-9-8-18-16(2,11-19)14-6-7-14/h3-5,10,12,14,18H,6-9,11H2,1-2H3
InChIKeyKMJSYMSVKAIBFR-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.47
Rot. Bonds3

About 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine

1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine (PubChem CID 64926315) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
PubChem CID64926315
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
SMILESCC(c1cccc(Cl)c1)N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C16H23ClN2/c1-12(13-4-3-5-15(17)10-13)19-9-8-18-16(2,11-19)14-6-7-14/h3-5,10,12,14,18H,6-9,11H2,1-2H3
InChIKeyKMJSYMSVKAIBFR-UHFFFAOYSA-N
XLogP3.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64926135
1-[1-(4-bromophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64926142
1-[1-(3-chlorophenyl)ethyl]-1,4-diazepane
CID 5105220
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
3-cyclopropyl-1-(2,5-dichlorophenyl)-3-methylpiperazine
CID 64924869
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine
CID 64952529
(3R)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905419
1-[1-(3-chlorophenyl)ethyl]-2,5-diethyl-5-methylpiperazine
CID 64945691
3,3-dimethyl-1-[1-(3-methylphenyl)ethyl]piperidin-4-amine;hydrochloride
CID 120774495
2-[1-(3-chlorophenyl)ethyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79940142
3-methyl-3-phenyl-1-(1-phenylethyl)piperazine
CID 64926177

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine?
The IUPAC name of 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine (CID 64926315) is 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine.
What is the SMILES notation for 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine?
The canonical SMILES for 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine is CC(c1cccc(Cl)c1)N1CCNC(C)(C2CC2)C1.
What is the InChIKey of 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine?
The InChIKey is KMJSYMSVKAIBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c1-12(13-4-3-5-15(17)10-13)19-9-8-18-16(2,11-19)14-6-7-14/h3-5,10,12,14,18H,6-9,11H2,1-2H3.
What are the key properties of 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine?
1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine has a molecular weight of 278.83 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine is sourced from PubChem (CID 64926315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).