1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine

C23H23FN2 — CID 71602525

IUPAC1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
SMILESFc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C23H23FN2/c24-21-10-6-11-22(17-21)26-15-13-25(14-16-26)18-20-9-4-5-12-23(20)19-7-2-1-3-8-19/h1-12,17H,13-16,18H2
InChIKeyXFQLNDIGDYVQBW-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.81
Rot. Bonds4

About 1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine

1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine (PubChem CID 71602525) has the molecular formula C23H23FN2 and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
PubChem CID71602525
Molecular FormulaC23H23FN2
Molecular Weight346.45 g/mol
Exact Mass346.18
IUPAC Name1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine
SMILESFc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C23H23FN2/c24-21-10-6-11-22(17-21)26-15-13-25(14-16-26)18-20-9-4-5-12-23(20)19-7-2-1-3-8-19/h1-12,17H,13-16,18H2
InChIKeyXFQLNDIGDYVQBW-UHFFFAOYSA-N
XLogP4.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Mianserin
CID 4184
Leucomalachite green
CID 67215
Bamipine
CID 72075
Leucocrystal Violet
CID 69048
Mianserin Hydrochloride
CID 68551
Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, (14bS)-
CID 154315
Phenbenzamine
CID 13751
Despropionyl meta-fluorofentanyl
CID 23741730
Piperazine, 1-phenethyl-4-phenyl-
CID 120540
Dibenzo(c,f)pyrazino(1,2-a)azepine, 1,2,3,4,10,14b-hexahydro-2-methyl-, 2-oxide
CID 3085244
1-Benzyl-4-phenylpiperazine
CID 511484
N,N-Dibenzylaniline
CID 66681

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The IUPAC name of 1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine (CID 71602525) is 1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine.
What is the SMILES notation for 1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The canonical SMILES for 1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine is Fc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine?
The InChIKey is XFQLNDIGDYVQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2/c24-21-10-6-11-22(17-21)26-15-13-25(14-16-26)18-20-9-4-5-12-23(20)19-7-2-1-3-8-19/h1-12,17H,13-16,18H2.
What are the key properties of 1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine?
1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine has a molecular weight of 346.45 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-4-[(2-phenylphenyl)methyl]piperazine is sourced from PubChem (CID 71602525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).