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

C25H25FN2O — CID 92767617

IUPAC[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H25FN2O/c1-19-7-9-22(10-8-19)25(29)28-17-15-27(16-18-28)24(20-5-3-2-4-6-20)21-11-13-23(26)14-12-21/h2-14,24H,15-18H2,1H3/t24-/m1/s1
InChIKeyMYJUMFCIULZQJL-XMMPIXPASA-N
MW388.49 g/mol
LogP4.68
Rot. Bonds4

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

[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 92767617) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID92767617
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H25FN2O/c1-19-7-9-22(10-8-19)25(29)28-17-15-27(16-18-28)24(20-5-3-2-4-6-20)21-11-13-23(26)14-12-21/h2-14,24H,15-18H2,1H3/t24-/m1/s1
InChIKeyMYJUMFCIULZQJL-XMMPIXPASA-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

Analyze [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 9378917
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 92767649
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100477
[4-[(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46100068
methyl 4-[4-[(4-methylphenyl)-phenylmethyl]piperazine-1-carbonyl]benzoate
CID 46100480
[4-[(S)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 92767686
methyl 4-[4-[bis(4-fluorophenyl)methyl]piperazine-1-carbonyl]benzoate
CID 24550836
(4-benzhydrylpiperazin-1-yl)-(3,5-difluorophenyl)methanone
CID 9337064
(4-benzhydrylpiperazin-1-yl)-[4-[(4-methylphenyl)sulfanylmethyl]phenyl]methanone
CID 4666883
(2-fluorophenyl)-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100028
[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 30290633
(2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100045

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 92767617) is [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is MYJUMFCIULZQJL-XMMPIXPASA-N. The full InChI is InChI=1S/C25H25FN2O/c1-19-7-9-22(10-8-19)25(29)28-17-15-27(16-18-28)24(20-5-3-2-4-6-20)21-11-13-23(26)14-12-21/h2-14,24H,15-18H2,1H3/t24-/m1/s1.
What are the key properties of [4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone?
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-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-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 92767617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).