1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine

C24H30F2N2 — CID 138460342

IUPAC1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(C(c3ccccc3)C3CCCCC3)CC2)cc1F
InChIInChI=1S/C24H30F2N2/c25-22-12-11-19(17-23(22)26)18-27-13-15-28(16-14-27)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1,3-4,7-8,11-12,17,21,24H,2,5-6,9-10,13-16,18H2
InChIKeyLRDANXLFZZEGTF-UHFFFAOYSA-N
MW384.51 g/mol
LogP5.40
Rot. Bonds5

About 1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine

1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine (PubChem CID 138460342) has the molecular formula C24H30F2N2 and a molecular weight of 384.51 g/mol. Its IUPAC name is 1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine
PubChem CID138460342
Molecular FormulaC24H30F2N2
Molecular Weight384.51 g/mol
Exact Mass384.24
IUPAC Name1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(C(c3ccccc3)C3CCCCC3)CC2)cc1F
InChIInChI=1S/C24H30F2N2/c25-22-12-11-19(17-23(22)26)18-27-13-15-28(16-14-27)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1,3-4,7-8,11-12,17,21,24H,2,5-6,9-10,13-16,18H2
InChIKeyLRDANXLFZZEGTF-UHFFFAOYSA-N
XLogP5.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.51
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 138460182
1-[cyclohexyl(phenyl)methyl]-4-(2-phenylethyl)piperazine
CID 138460344
1-[cyclohexyl-(4-fluorophenyl)methyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 138460245
1-[cyclohexyl(phenyl)methyl]-4-methylpiperazine
CID 24842055
1-[(S)-cyclopentyl-(3,4-difluorophenyl)methyl]piperazine
CID 95483787
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
1-[4-[4-[cyclobutyl(phenyl)methyl]piperazin-1-yl]-3-fluorophenyl]-3-ethylpentan-2-one
CID 160639467
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methyl-1-phenylpropyl)urea
CID 60543923
4-[cyclohexyl(phenyl)methyl]-1,1-diethylpiperazin-1-ium
CID 24842365
[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-phenylmethanone
CID 134116002
1-[(S)-cyclobutyl-(3,4-difluorophenyl)methyl]piperazine
CID 95471659
2-[4-[(3,4-difluorophenyl)methyl]-1,4-diazepan-1-yl]acetic acid
CID 65061399

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine?
The IUPAC name of 1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine (CID 138460342) is 1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine is Fc1ccc(CN2CCN(C(c3ccccc3)C3CCCCC3)CC2)cc1F.
What is the InChIKey of 1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine?
The InChIKey is LRDANXLFZZEGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F2N2/c25-22-12-11-19(17-23(22)26)18-27-13-15-28(16-14-27)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1,3-4,7-8,11-12,17,21,24H,2,5-6,9-10,13-16,18H2.
What are the key properties of 1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine?
1-[cyclohexyl(phenyl)methyl]-4-[(3,4-difluorophenyl)methyl]piperazine has a molecular weight of 384.51 g/mol, XLogP of 5.40, 5 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-[(3,4-difluorophenyl)methyl]piperazine is sourced from PubChem (CID 138460342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).