1-cyclohexyl-4-(4-methylphenyl)piperazine

C17H26N2 — CID 20655127

IUPAC1-cyclohexyl-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H26N2/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeyXCIYBGBMDLOCSK-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.45
Rot. Bonds2

About 1-cyclohexyl-4-(4-methylphenyl)piperazine

1-cyclohexyl-4-(4-methylphenyl)piperazine (PubChem CID 20655127) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-cyclohexyl-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-(4-methylphenyl)piperazine
PubChem CID20655127
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-cyclohexyl-4-(4-methylphenyl)piperazine
SMILESCc1ccc(N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C17H26N2/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3
InChIKeyXCIYBGBMDLOCSK-UHFFFAOYSA-N
XLogP3.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-cycloheptyl-4-phenylpiperazine
CID 2846720
1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine
CID 2845220
1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine
CID 23383617
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-N-methylmethanamine
CID 62368802
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]formamide
CID 58958425
2-(4-piperidin-1-ylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79922742
1-cyclopentyl-4-(4-methylphenyl)piperidine
CID 118146215
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
1-cyclohexyl-4-[4-(dimethylsulfamoylamino)phenyl]piperazine
CID 112502794
1-(4-methylphenyl)-4-(3-piperidin-1-ylcyclobutyl)oxypiperidine
CID 171070298
4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid
CID 62369937

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-cyclohexyl-4-(4-methylphenyl)piperazine (CID 20655127) is 1-cyclohexyl-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-cyclohexyl-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-cyclohexyl-4-(4-methylphenyl)piperazine is Cc1ccc(N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(4-methylphenyl)piperazine?
The InChIKey is XCIYBGBMDLOCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h7-10,16H,2-6,11-14H2,1H3.
What are the key properties of 1-cyclohexyl-4-(4-methylphenyl)piperazine?
1-cyclohexyl-4-(4-methylphenyl)piperazine has a molecular weight of 258.41 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 20655127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).