1-(3-methylcyclohexyl)-2-phenylpiperazine

C17H26N2 — CID 64938818

IUPAC1-(3-methylcyclohexyl)-2-phenylpiperazine
SMILESCC1CCCC(N2CCNCC2c2ccccc2)C1
InChIInChI=1S/C17H26N2/c1-14-6-5-9-16(12-14)19-11-10-18-13-17(19)15-7-3-2-4-8-15/h2-4,7-8,14,16-18H,5-6,9-13H2,1H3
InChIKeyURWITVZHRFHCLL-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.21
Rot. Bonds2

About 1-(3-methylcyclohexyl)-2-phenylpiperazine

1-(3-methylcyclohexyl)-2-phenylpiperazine (PubChem CID 64938818) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-2-phenylpiperazine.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-2-phenylpiperazine
PubChem CID64938818
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(3-methylcyclohexyl)-2-phenylpiperazine
SMILESCC1CCCC(N2CCNCC2c2ccccc2)C1
InChIInChI=1S/C17H26N2/c1-14-6-5-9-16(12-14)19-11-10-18-13-17(19)15-7-3-2-4-8-15/h2-4,7-8,14,16-18H,5-6,9-13H2,1H3
InChIKeyURWITVZHRFHCLL-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-phenylpiperazine
CID 64931514
1-(3,5-dimethylcyclohexyl)-2-phenylpiperazine
CID 64930739
1-(1-methylpiperidin-4-yl)-2-phenylpiperazine
CID 64936522
1-(2,3-dimethylcyclopentyl)-2-phenylpiperazine
CID 64931533
1-(2-bicyclo[2.2.1]heptanyl)-2-phenylpiperazine
CID 64931531
3-(2-phenylpyrrolidin-1-yl)azepane
CID 114218538
1-(3-methylcyclohexyl)piperazine-2-carbonitrile
CID 79086423
1-(cyclobutylmethyl)-2-phenylpiperazine
CID 64936519
(4S,9aR)-4-phenyl-1,3,4,6,7,8,9,9a-octahydropyrazino[2,1-c][1,4]oxazine;hydrochloride
CID 154919958
2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one
CID 83244103
2-(4-cyclohexylphenyl)-1-piperidin-4-ylpiperazine
CID 70270499
1-(3-methoxycyclohexyl)-5-methyl-2-phenylpiperazine
CID 64844557

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-2-phenylpiperazine?
The IUPAC name of 1-(3-methylcyclohexyl)-2-phenylpiperazine (CID 64938818) is 1-(3-methylcyclohexyl)-2-phenylpiperazine.
What is the SMILES notation for 1-(3-methylcyclohexyl)-2-phenylpiperazine?
The canonical SMILES for 1-(3-methylcyclohexyl)-2-phenylpiperazine is CC1CCCC(N2CCNCC2c2ccccc2)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-2-phenylpiperazine?
The InChIKey is URWITVZHRFHCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-6-5-9-16(12-14)19-11-10-18-13-17(19)15-7-3-2-4-8-15/h2-4,7-8,14,16-18H,5-6,9-13H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)-2-phenylpiperazine?
1-(3-methylcyclohexyl)-2-phenylpiperazine has a molecular weight of 258.41 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-2-phenylpiperazine is sourced from PubChem (CID 64938818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).