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

C24H31FN2 — CID 138460182

IUPAC1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1CN1CCN(C(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C24H31FN2/c25-23-14-8-7-13-22(23)19-26-15-17-27(18-16-26)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21,24H,2,5-6,11-12,15-19H2
InChIKeyFDZSFZCBIQFVPQ-UHFFFAOYSA-N
MW366.52 g/mol
LogP5.26
Rot. Bonds5

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

1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine (PubChem CID 138460182) has the molecular formula C24H31FN2 and a molecular weight of 366.52 g/mol. Its IUPAC name is 1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
PubChem CID138460182
Molecular FormulaC24H31FN2
Molecular Weight366.52 g/mol
Exact Mass366.25
IUPAC Name1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
SMILESFc1ccccc1CN1CCN(C(c2ccccc2)C2CCCCC2)CC1
InChIInChI=1S/C24H31FN2/c25-23-14-8-7-13-22(23)19-26-15-17-27(18-16-26)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21,24H,2,5-6,11-12,15-19H2
InChIKeyFDZSFZCBIQFVPQ-UHFFFAOYSA-N
XLogP5.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine (CID 138460182) is 1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine is Fc1ccccc1CN1CCN(C(c2ccccc2)C2CCCCC2)CC1.
What is the InChIKey of 1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine?
The InChIKey is FDZSFZCBIQFVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN2/c25-23-14-8-7-13-22(23)19-26-15-17-27(18-16-26)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21,24H,2,5-6,11-12,15-19H2.
What are the key properties of 1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine?
1-[cyclohexyl(phenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine has a molecular weight of 366.52 g/mol, XLogP of 5.26, 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-[(2-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 138460182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).