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

C24H25FN2O — CID 4209262

IUPAC1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
SMILESFc1ccc(C(c2cccc(OCc3ccccc3)c2)N2CCNCC2)cc1
InChIInChI=1S/C24H25FN2O/c25-22-11-9-20(10-12-22)24(27-15-13-26-14-16-27)21-7-4-8-23(17-21)28-18-19-5-2-1-3-6-19/h1-12,17,24,26H,13-16,18H2
InChIKeyJNBKODMAXYMPFH-UHFFFAOYSA-N
MW376.48 g/mol
LogP4.40
Rot. Bonds6

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

1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine (PubChem CID 4209262) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
PubChem CID4209262
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine
SMILESFc1ccc(C(c2cccc(OCc3ccccc3)c2)N2CCNCC2)cc1
InChIInChI=1S/C24H25FN2O/c25-22-11-9-20(10-12-22)24(27-15-13-26-14-16-27)21-7-4-8-23(17-21)28-18-19-5-2-1-3-6-19/h1-12,17,24,26H,13-16,18H2
InChIKeyJNBKODMAXYMPFH-UHFFFAOYSA-N
XLogP4.40
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3759921
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5161251
1-[(3-methylphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3765974
1-[(2,4-difluorophenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3766274
1-[(1R)-2,2-difluoro-1-(3-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171281175
1-[(4-fluorophenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3558640
1-[(3-phenylmethoxyphenyl)-pyridin-3-ylmethyl]-1,4-diazepane
CID 3770169
1-[(3-ethoxyphenyl)-(4-fluorophenyl)methyl]-1,4-diazepane
CID 4308636
1-[(1R)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propyl]piperazine
CID 171293821
1-[(2-methylphenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3504190
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(1R)-4,4,4-trifluoro-1-(3-phenylmethoxyphenyl)butyl]piperazine
CID 171172354

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine (CID 4209262) is 1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine is Fc1ccc(C(c2cccc(OCc3ccccc3)c2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine?
The InChIKey is JNBKODMAXYMPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c25-22-11-9-20(10-12-22)24(27-15-13-26-14-16-27)21-7-4-8-23(17-21)28-18-19-5-2-1-3-6-19/h1-12,17,24,26H,13-16,18H2.
What are the key properties of 1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine?
1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine has a molecular weight of 376.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)-(3-phenylmethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 4209262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).