1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine

C18H28N2 — CID 24842055

IUPAC1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C18H28N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3
InChIKeyWCGAYNHELPEDLX-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.56
Rot. Bonds3

About 1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine

1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine (PubChem CID 24842055) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine
PubChem CID24842055
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C18H28N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3
InChIKeyWCGAYNHELPEDLX-UHFFFAOYSA-N
XLogP3.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine?
The IUPAC name of 1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine (CID 24842055) is 1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine?
The canonical SMILES for 1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine is CN1CCN(C(c2ccccc2)C2CCCCC2)CC1.
What is the InChIKey of 1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine?
The InChIKey is WCGAYNHELPEDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-19-12-14-20(15-13-19)18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3.
What are the key properties of 1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine?
1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine is sourced from PubChem (CID 24842055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).