1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine

C24H25FN2O — CID 2846220

IUPAC1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine
SMILESFc1ccc(N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C24H25FN2O/c25-22-9-11-23(12-10-22)27-15-13-26(14-16-27)18-21-7-4-8-24(17-21)28-19-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2
InChIKeyXLADNKFVPXZLBX-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.73
Rot. Bonds6

About 1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine

1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 2846220) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine
PubChem CID2846220
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine
SMILESFc1ccc(N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C24H25FN2O/c25-22-9-11-23(12-10-22)27-15-13-26(14-16-27)18-21-7-4-8-24(17-21)28-19-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2
InChIKeyXLADNKFVPXZLBX-UHFFFAOYSA-N
XLogP4.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
4-[(3-phenylmethoxyphenyl)methyl]piperazine-1-carboxylic acid
CID 68724845
1-fluoro-4-[(3-phenylmethoxyphenoxy)methyl]benzene
CID 57107453
[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 43922406
8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46977039
2-[4-[4-[(4-fluorophenyl)methoxy]phenyl]piperazin-1-yl]ethanol
CID 10268423
7-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-phenylmethoxy-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 22001519
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
1-(4-nitrophenyl)-4-[(4-phenylmethoxyphenyl)methyl]piperazine
CID 2846057
4-phenyl-2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 67322694
2-[4-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 50972913
7-[(3-phenylmethoxyphenyl)methyl]-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 29088594

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine (CID 2846220) is 1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine is Fc1ccc(N2CCN(Cc3cccc(OCc4ccccc4)c3)CC2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is XLADNKFVPXZLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c25-22-9-11-23(12-10-22)27-15-13-26(14-16-27)18-21-7-4-8-24(17-21)28-19-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2.
What are the key properties of 1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine?
1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 376.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(3-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 2846220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).