(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone

C25H25FN2O — CID 46100477

IUPAC(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(c2ccccc2)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C25H25FN2O/c1-19-10-12-21(13-11-19)24(20-6-3-2-4-7-20)27-14-16-28(17-15-27)25(29)22-8-5-9-23(26)18-22/h2-13,18,24H,14-17H2,1H3
InChIKeyXJGPXXBRHYJUOJ-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.68
Rot. Bonds4

About (3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone

(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone (PubChem CID 46100477) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
PubChem CID46100477
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
SMILESCc1ccc(C(c2ccccc2)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C25H25FN2O/c1-19-10-12-21(13-11-19)24(20-6-3-2-4-7-20)27-14-16-28(17-15-27)25(29)22-8-5-9-23(26)18-22/h2-13,18,24H,14-17H2,1H3
InChIKeyXJGPXXBRHYJUOJ-UHFFFAOYSA-N
XLogP4.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92767649
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92769109
methyl 4-[4-[(4-methylphenyl)-phenylmethyl]piperazine-1-carbonyl]benzoate
CID 46100480
(2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100045
(2R)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]butanoic acid
CID 129401472
(4-benzhydrylpiperazin-1-yl)-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanone
CID 4666883
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92767686
[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone (CID 46100477) is (3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone is Cc1ccc(C(c2ccccc2)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of (3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone?
The InChIKey is XJGPXXBRHYJUOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O/c1-19-10-12-21(13-11-19)24(20-6-3-2-4-7-20)27-14-16-28(17-15-27)25(29)22-8-5-9-23(26)18-22/h2-13,18,24H,14-17H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone has a molecular weight of 388.49 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46100477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).