1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine

C23H31FN4 — CID 171911015

IUPAC1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
SMILESFc1ccc(N2CCN(CCN3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H31FN4/c24-22-6-8-23(9-7-22)28-18-16-26(17-19-28)11-10-25-12-14-27(15-13-25)20-21-4-2-1-3-5-21/h1-9H,10-20H2
InChIKeyLMGBFAGPCHEOPA-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.77
Rot. Bonds6

About 1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine

1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine (PubChem CID 171911015) has the molecular formula C23H31FN4 and a molecular weight of 382.53 g/mol. Its IUPAC name is 1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
PubChem CID171911015
Molecular FormulaC23H31FN4
Molecular Weight382.53 g/mol
Exact Mass382.25
IUPAC Name1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
SMILESFc1ccc(N2CCN(CCN3CCN(Cc4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C23H31FN4/c24-22-6-8-23(9-7-22)28-18-16-26(17-19-28)11-10-25-12-14-27(15-13-25)20-21-4-2-1-3-5-21/h1-9H,10-20H2
InChIKeyLMGBFAGPCHEOPA-UHFFFAOYSA-N
XLogP2.77
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
CID 134565672
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine
CID 2846220
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015706
1-(4-benzylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 17496772
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 174368347
1-[(2,6-dichlorophenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 782911
4-(4-benzylpiperazin-1-yl)-2-fluorophenol
CID 46737218

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine?
The IUPAC name of 1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine (CID 171911015) is 1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine?
The canonical SMILES for 1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine is Fc1ccc(N2CCN(CCN3CCN(Cc4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine?
The InChIKey is LMGBFAGPCHEOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4/c24-22-6-8-23(9-7-22)28-18-16-26(17-19-28)11-10-25-12-14-27(15-13-25)20-21-4-2-1-3-5-21/h1-9H,10-20H2.
What are the key properties of 1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine?
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine has a molecular weight of 382.53 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine is sourced from PubChem (CID 171911015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).