[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone

C22H25FN2O — CID 159187569

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)C3C[C@H]3c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H25FN2O/c1-15-3-4-16(2)21(13-15)24-9-11-25(12-10-24)22(26)20-14-19(20)17-5-7-18(23)8-6-17/h3-8,13,19-20H,9-12,14H2,1-2H3/t19-,20?/m0/s1
InChIKeyPVKBPWYMFMZBLZ-XJDOXCRVSA-N
MW352.45 g/mol
LogP3.89
Rot. Bonds3

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone (PubChem CID 159187569) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone
PubChem CID159187569
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)C3C[C@H]3c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H25FN2O/c1-15-3-4-16(2)21(13-15)24-9-11-25(12-10-24)22(26)20-14-19(20)17-5-7-18(23)8-6-17/h3-8,13,19-20H,9-12,14H2,1-2H3/t19-,20?/m0/s1
InChIKeyPVKBPWYMFMZBLZ-XJDOXCRVSA-N
XLogP3.89
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(1S,2R)-2-(4-methylphenyl)cyclopropyl]methanone
CID 170230570
[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 130454988
[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[(1S)-2-(4-sulfanylphenyl)cyclopropyl]methanone
CID 137436729
1-[3-fluoro-4-[4-[2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]phenyl]ethanone
CID 51292338
[4-[5-chloro-2-(trifluoromethyl)phenyl]piperazin-1-yl]-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 137436681
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 94168140
[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 94525636
[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 130471079
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanone;hydrochloride
CID 68729570
[2-(4-fluorophenyl)cyclopropyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone
CID 51291999
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(1S,2R)-1,2-dideuterio-2-(4-fluorophenyl)cyclopropyl]methanone;[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(1R,2S)-1,2-dideuterio-2-(4-fluorophenyl)cyclopropyl]methanone
CID 161376797
(3S,4S)-3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-4-phenylpiperidine-1-carboxylic acid
CID 123443778

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone (CID 159187569) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone is Cc1ccc(C)c(N2CCN(C(=O)C3C[C@H]3c3ccc(F)cc3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone?
The InChIKey is PVKBPWYMFMZBLZ-XJDOXCRVSA-N. The full InChI is InChI=1S/C22H25FN2O/c1-15-3-4-16(2)21(13-15)24-9-11-25(12-10-24)22(26)20-14-19(20)17-5-7-18(23)8-6-17/h3-8,13,19-20H,9-12,14H2,1-2H3/t19-,20?/m0/s1.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone has a molecular weight of 352.45 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(2R)-2-(4-fluorophenyl)cyclopropyl]methanone is sourced from PubChem (CID 159187569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).