[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone

C22H25FN2O — CID 110629306

IUPAC[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESO=C(C1CC1c1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O/c23-19-8-6-17(7-9-19)10-11-24-12-14-25(15-13-24)22(26)21-16-20(21)18-4-2-1-3-5-18/h1-9,20-21H,10-16H2
InChIKeyCATLOFSWOKIOSD-UHFFFAOYSA-N
MW352.45 g/mol
LogP3.32
Rot. Bonds5

About [4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone

[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone (PubChem CID 110629306) has the molecular formula C22H25FN2O and a molecular weight of 352.45 g/mol. Its IUPAC name is [4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone
PubChem CID110629306
Molecular FormulaC22H25FN2O
Molecular Weight352.45 g/mol
Exact Mass352.20
IUPAC Name[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone
SMILESO=C(C1CC1c1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O/c23-19-8-6-17(7-9-19)10-11-24-12-14-25(15-13-24)22(26)21-16-20(21)18-4-2-1-3-5-18/h1-9,20-21H,10-16H2
InChIKeyCATLOFSWOKIOSD-UHFFFAOYSA-N
XLogP3.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.45
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95590694
[4-(2-methylsulfonylethyl)piperazin-1-yl]-(2-phenylcyclopropyl)methanone
CID 110281141
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
[(1S,2R)-2-(4-fluorophenyl)cyclopropyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 94532765
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
3,4-dimethyl-6-[4-(2-phenylethyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 6469252
(E)-1-[4-[(1S,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 51897927
(3R,4R)-3-(4-fluorophenyl)-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydrochloride
CID 71237648
2-(4-fluorophenyl)-1-[(1S,2S)-2-phenylcyclopropyl]ethanone
CID 159213870
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 35280818
2-[4-(2-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 56820036
[4-(2-pyridin-4-ylethyl)piperazin-1-yl]-[(1R,2R)-2-thiophen-3-ylcyclopropyl]methanone
CID 138030684

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The IUPAC name of [4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone (CID 110629306) is [4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for [4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The canonical SMILES for [4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone is O=C(C1CC1c1ccccc1)N1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of [4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
The InChIKey is CATLOFSWOKIOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O/c23-19-8-6-17(7-9-19)10-11-24-12-14-25(15-13-24)22(26)21-16-20(21)18-4-2-1-3-5-18/h1-9,20-21H,10-16H2.
What are the key properties of [4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone?
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone has a molecular weight of 352.45 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 110629306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).