3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine

C18H28N2 — CID 64925415

IUPAC3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine
SMILESCc1cc(C)cc(N2CCNC(C3CCCCC3)C2)c1
InChIInChI=1S/C18H28N2/c1-14-10-15(2)12-17(11-14)20-9-8-19-18(13-20)16-6-4-3-5-7-16/h10-12,16,18-19H,3-9,13H2,1-2H3
InChIKeyYPSPKYFHZZKXNI-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.66
Rot. Bonds2

About 3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine

3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine (PubChem CID 64925415) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine
PubChem CID64925415
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine
SMILESCc1cc(C)cc(N2CCNC(C3CCCCC3)C2)c1
InChIInChI=1S/C18H28N2/c1-14-10-15(2)12-17(11-14)20-9-8-19-18(13-20)16-6-4-3-5-7-16/h10-12,16,18-19H,3-9,13H2,1-2H3
InChIKeyYPSPKYFHZZKXNI-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine (CID 64925415) is 3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine is Cc1cc(C)cc(N2CCNC(C3CCCCC3)C2)c1.
What is the InChIKey of 3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine?
The InChIKey is YPSPKYFHZZKXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-10-15(2)12-17(11-14)20-9-8-19-18(13-20)16-6-4-3-5-7-16/h10-12,16,18-19H,3-9,13H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine?
3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3,5-dimethylphenyl)piperazine is sourced from PubChem (CID 64925415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).