1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine

C23H29FN2 — CID 4677213

IUPAC1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine
SMILESFc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H29FN2/c24-22-10-6-19(7-11-22)18-25-14-16-26(17-15-25)23-12-8-21(9-13-23)20-4-2-1-3-5-20/h1-7,10-11,21,23H,8-9,12-18H2
InChIKeyPCECIMWPOAIRAM-UHFFFAOYSA-N
MW352.50 g/mol
LogP4.67
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine

1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine (PubChem CID 4677213) has the molecular formula C23H29FN2 and a molecular weight of 352.50 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine
PubChem CID4677213
Molecular FormulaC23H29FN2
Molecular Weight352.50 g/mol
Exact Mass352.23
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine
SMILESFc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H29FN2/c24-22-10-6-19(7-11-22)18-25-14-16-26(17-15-25)23-12-8-21(9-13-23)20-4-2-1-3-5-20/h1-7,10-11,21,23H,8-9,12-18H2
InChIKeyPCECIMWPOAIRAM-UHFFFAOYSA-N
XLogP4.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
1-benzyl-4-cyclopropylpiperazine
CID 69195043
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
1-[(4-fluorophenyl)methyl]-4-(4-methylcyclohexyl)piperazine;oxalic acid
CID 90483762
1-cycloheptyl-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483560
4-(4-benzylpiperazin-1-yl)-1-(4-fluorophenyl)cyclohexan-1-ol
CID 22122113
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 1361233
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-phenylcyclohexyl)piperazine;oxalic acid
CID 90484103
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-benzyl-4-(4-tert-butylcyclohexyl)piperazine
CID 2846257
1-(4-phenylcyclohexyl)piperazine chloride
CID 53347254
4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol
CID 174809872

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine (CID 4677213) is 1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine is Fc1ccc(CN2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine?
The InChIKey is PCECIMWPOAIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2/c24-22-10-6-19(7-11-22)18-25-14-16-26(17-15-25)23-12-8-21(9-13-23)20-4-2-1-3-5-20/h1-7,10-11,21,23H,8-9,12-18H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine?
1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine has a molecular weight of 352.50 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine is sourced from PubChem (CID 4677213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).