[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone

C25H25FN2O — CID 92767686

IUPAC[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H25FN2O/c1-19-7-5-6-10-23(19)25(29)28-17-15-27(16-18-28)24(20-8-3-2-4-9-20)21-11-13-22(26)14-12-21/h2-14,24H,15-18H2,1H3/t24-/m0/s1
InChIKeyNWSARMIIILJELM-DEOSSOPVSA-N
MW388.49 g/mol
LogP4.68
Rot. Bonds4

About [4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone

[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 92767686) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is [4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID92767686
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H25FN2O/c1-19-7-5-6-10-23(19)25(29)28-17-15-27(16-18-28)24(20-8-3-2-4-9-20)21-11-13-22(26)14-12-21/h2-14,24H,15-18H2,1H3/t24-/m0/s1
InChIKeyNWSARMIIILJELM-DEOSSOPVSA-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-bromophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92769177
(2-fluorophenyl)-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100028
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92767649
[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068
1-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-3-methylbutan-1-one
CID 46099721
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100477
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-[2-(dimethylamino)-3-pyridinyl]methanone
CID 60551277
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 112760338
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064

Frequently Asked Questions

What is the IUPAC name of [4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone (CID 92767686) is [4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCN([C@@H](c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is NWSARMIIILJELM-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H25FN2O/c1-19-7-5-6-10-23(19)25(29)28-17-15-27(16-18-28)24(20-8-3-2-4-9-20)21-11-13-22(26)14-12-21/h2-14,24H,15-18H2,1H3/t24-/m0/s1.
What are the key properties of [4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone?
[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)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 [4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 92767686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).