1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine

C18H28N2 — CID 95475360

IUPAC1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine
SMILESCc1cccc(C2(N3CCNCC3)CCCCC2)c1C
InChIInChI=1S/C18H28N2/c1-15-7-6-8-17(16(15)2)18(9-4-3-5-10-18)20-13-11-19-12-14-20/h6-8,19H,3-5,9-14H2,1-2H3
InChIKeyQDRMTUGBTIWFLN-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.37
Rot. Bonds2

About 1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine

1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine (PubChem CID 95475360) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine.

Molecular Properties

Compound Name1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine
PubChem CID95475360
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine
SMILESCc1cccc(C2(N3CCNCC3)CCCCC2)c1C
InChIInChI=1S/C18H28N2/c1-15-7-6-8-17(16(15)2)18(9-4-3-5-10-18)20-13-11-19-12-14-20/h6-8,19H,3-5,9-14H2,1-2H3
InChIKeyQDRMTUGBTIWFLN-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,3-dimethylphenyl)oxan-4-yl]piperazine
CID 95477520
4-[4-(2,3-dimethylphenyl)piperidin-4-yl]morpholine
CID 95477521
1-[1-(3-methylphenyl)cyclohexyl]piperazine
CID 82300802
2-(2,3-dimethylphenyl)-2-propylazepane
CID 79117434
8-[1-(2-methylphenyl)cyclohexyl]-4-phenyl-2,8-diazaspiro[4.5]decan-1-one
CID 11750018
1-(2,3-dimethylphenyl)cyclobutan-1-amine
CID 83683088
1-(1-phenylcyclopropyl)piperazine;dihydrochloride
CID 53407087
4-(2,3-dimethylphenyl)-1,4-diazaspiro[5.5]undecane
CID 64924817
iodomethane;1-methyl-4-(1-naphthalen-1-ylcyclohexyl)piperazine
CID 21153432
3-fluoro-3-(2-methylphenyl)piperidine
CID 83818332
1-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]cyclohexyl]piperidine
CID 43902752
2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid
CID 82289741

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine?
The IUPAC name of 1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine (CID 95475360) is 1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine.
What is the SMILES notation for 1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine?
The canonical SMILES for 1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine is Cc1cccc(C2(N3CCNCC3)CCCCC2)c1C.
What is the InChIKey of 1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine?
The InChIKey is QDRMTUGBTIWFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-7-6-8-17(16(15)2)18(9-4-3-5-10-18)20-13-11-19-12-14-20/h6-8,19H,3-5,9-14H2,1-2H3.
What are the key properties of 1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine?
1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,3-dimethylphenyl)cyclohexyl]piperazine is sourced from PubChem (CID 95475360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).