1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine

C24H32N2 — CID 4738702

IUPAC1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(C(c2ccc(C3CCCCC3)cc2)N2CCNCC2)c1
InChIInChI=1S/C24H32N2/c1-19-6-5-9-23(18-19)24(26-16-14-25-15-17-26)22-12-10-21(11-13-22)20-7-3-2-4-8-20/h5-6,9-13,18,20,24-25H,2-4,7-8,14-17H2,1H3
InChIKeyDRSXZQDIVCORHA-UHFFFAOYSA-N
MW348.53 g/mol
LogP5.04
Rot. Bonds4

About 1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine

1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine (PubChem CID 4738702) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine
PubChem CID4738702
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine
SMILESCc1cccc(C(c2ccc(C3CCCCC3)cc2)N2CCNCC2)c1
InChIInChI=1S/C24H32N2/c1-19-6-5-9-23(18-19)24(26-16-14-25-15-17-26)22-12-10-21(11-13-22)20-7-3-2-4-8-20/h5-6,9-13,18,20,24-25H,2-4,7-8,14-17H2,1H3
InChIKeyDRSXZQDIVCORHA-UHFFFAOYSA-N
XLogP5.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(S)-(3-methylphenyl)-phenylmethyl]piperazine
CID 92754605
1-[(R)-(3-methylphenyl)-thiophen-2-ylmethyl]piperazine
CID 92754603
1-[(3,4-dimethoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3719968
1-[(S)-cyclobutyl-(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 171280342
1-[(3-methoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3847657
1-[(1S)-1-(3-methylphenyl)ethyl]piperazine
CID 92754613
1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 3971092
1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3765974
1-[(3-chlorophenyl)-(3,5-dimethylphenyl)methyl]-1,4-diazepane
CID 4615569
1-[(2-chlorophenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3259309
1-[(3,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]piperazine
CID 4043380
1-[1-(4-cyclohexylphenyl)propan-2-yl]piperazine
CID 82255626

Frequently Asked Questions

What is the IUPAC name of 1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine (CID 4738702) is 1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine is Cc1cccc(C(c2ccc(C3CCCCC3)cc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine?
The InChIKey is DRSXZQDIVCORHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2/c1-19-6-5-9-23(18-19)24(26-16-14-25-15-17-26)22-12-10-21(11-13-22)20-7-3-2-4-8-20/h5-6,9-13,18,20,24-25H,2-4,7-8,14-17H2,1H3.
What are the key properties of 1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine?
1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine has a molecular weight of 348.53 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-cyclohexylphenyl)-(3-methylphenyl)methyl]piperazine is sourced from PubChem (CID 4738702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).