5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine

C18H28N2 — CID 64954698

IUPAC5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine
SMILESCC1CCC(N2CC(C)NCC2c2ccccc2)CC1
InChIInChI=1S/C18H28N2/c1-14-8-10-17(11-9-14)20-13-15(2)19-12-18(20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3
InChIKeyWDTOSTAPFRGUSL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.60
Rot. Bonds2

About 5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine

5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine (PubChem CID 64954698) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine.

Molecular Properties

Compound Name5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine
PubChem CID64954698
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine
SMILESCC1CCC(N2CC(C)NCC2c2ccccc2)CC1
InChIInChI=1S/C18H28N2/c1-14-8-10-17(11-9-14)20-13-15(2)19-12-18(20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3
InChIKeyWDTOSTAPFRGUSL-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-5-methyl-2-phenylpiperazine
CID 64954274
5-methyl-1-(1-methylpiperidin-3-yl)-2-phenylpiperazine
CID 64936382
1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine
CID 64844557
5-tert-butyl-1-cyclobutyl-2-phenylpiperazine
CID 64947167
(2S,5R)-1-benzyl-5-methyl-2-phenylpiperazine
CID 86680328
(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine
CID 169115914
5-methyl-1-octyl-2-phenylpiperazine
CID 64845541
1-heptyl-5-methyl-2-phenylpiperazine
CID 64846339
2-ethyl-5-methyl-1-(4-methylcyclohexyl)piperazine
CID 64954867
5-methyl-1-(1-methylcyclobutyl)-2-phenylpiperazine
CID 113486045
1-(4-chlorophenyl)-5-methyl-2-phenylpiperazine
CID 64937509
1-cyclopropyl-2,5-dimethylpiperazine
CID 64954280

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine?
The IUPAC name of 5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine (CID 64954698) is 5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine.
What is the SMILES notation for 5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine?
The canonical SMILES for 5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine is CC1CCC(N2CC(C)NCC2c2ccccc2)CC1.
What is the InChIKey of 5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine?
The InChIKey is WDTOSTAPFRGUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-8-10-17(11-9-14)20-13-15(2)19-12-18(20)16-6-4-3-5-7-16/h3-7,14-15,17-19H,8-13H2,1-2H3.
What are the key properties of 5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine?
5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine has a molecular weight of 272.44 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylcyclohexyl)-2-phenylpiperazine is sourced from PubChem (CID 64954698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).