[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone

C14H16F2N2O — CID 119401469

IUPAC[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
SMILESO=C(C1CC1c1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C14H16F2N2O/c15-9-1-2-13(16)11(7-9)10-8-12(10)14(19)18-5-3-17-4-6-18/h1-2,7,10,12,17H,3-6,8H2
InChIKeyYYJYUQPDSOOAIG-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.50
Rot. Bonds2

About [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone

[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone (PubChem CID 119401469) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
PubChem CID119401469
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
SMILESO=C(C1CC1c1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C14H16F2N2O/c15-9-1-2-13(16)11(7-9)10-8-12(10)14(19)18-5-3-17-4-6-18/h1-2,7,10,12,17H,3-6,8H2
InChIKeyYYJYUQPDSOOAIG-UHFFFAOYSA-N
XLogP1.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401468
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735897
[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571881
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
1-[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257216
[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607198
[(1R,2R)-2-(2,5-difluorophenyl)cyclopropyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607197
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733139
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698455

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone (CID 119401469) is [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone is O=C(C1CC1c1cc(F)ccc1F)N1CCNCC1.
What is the InChIKey of [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone?
The InChIKey is YYJYUQPDSOOAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-9-1-2-13(16)11(7-9)10-8-12(10)14(19)18-5-3-17-4-6-18/h1-2,7,10,12,17H,3-6,8H2.
What are the key properties of [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone?
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone has a molecular weight of 266.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119401469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).