1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine

C25H34N2 — CID 138460344

IUPAC1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine
SMILESc1ccc(CCN2CCN(C(c3ccccc3)C3CCCCC3)CC2)cc1
InChIInChI=1S/C25H34N2/c1-4-10-22(11-5-1)16-17-26-18-20-27(21-19-26)25(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-2,4-7,10-13,24-25H,3,8-9,14-21H2
InChIKeyLIVPLLJVHQSALC-UHFFFAOYSA-N
MW362.56 g/mol
LogP5.17
Rot. Bonds6

About 1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine

1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine (PubChem CID 138460344) has the molecular formula C25H34N2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine
PubChem CID138460344
Molecular FormulaC25H34N2
Molecular Weight362.56 g/mol
Exact Mass362.27
IUPAC Name1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine
SMILESc1ccc(CCN2CCN(C(c3ccccc3)C3CCCCC3)CC2)cc1
InChIInChI=1S/C25H34N2/c1-4-10-22(11-5-1)16-17-26-18-20-27(21-19-26)25(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-2,4-7,10-13,24-25H,3,8-9,14-21H2
InChIKeyLIVPLLJVHQSALC-UHFFFAOYSA-N
XLogP5.17
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.56
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine
CID 24842055
1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 138460182
2-cyclopentyl-2-phenyl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 122664615
1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine
CID 138460342
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
4-[cyclohexyl(phenyl)methyl]-1,1-diethylpiperazin-1-ium
CID 24842365
1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
1-(2-chloroethyl)-4-(2-phenylethyl)piperazine
CID 10264250
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
N-(dicyclopropylmethyl)-1-(2-phenylethyl)piperidin-4-amine
CID 119165181
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162074

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine?
The IUPAC name of 1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine (CID 138460344) is 1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine?
The canonical SMILES for 1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine is c1ccc(CCN2CCN(C(c3ccccc3)C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine?
The InChIKey is LIVPLLJVHQSALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2/c1-4-10-22(11-5-1)16-17-26-18-20-27(21-19-26)25(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-2,4-7,10-13,24-25H,3,8-9,14-21H2.
What are the key properties of 1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine?
1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine has a molecular weight of 362.56 g/mol, XLogP of 5.17, 6 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-(2-phenylethyl)piperazine is sourced from PubChem (CID 138460344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).