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

C14H17ClF2N2O — CID 119401468

IUPAC[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(C1CC1c1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C14H16F2N2O.ClH/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;1H
InChIKeyBGHMIKZOXFPZHI-UHFFFAOYSA-N
MW302.75 g/mol
LogP1.92
Rot. Bonds2

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

[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119401468) has the molecular formula C14H17ClF2N2O and a molecular weight of 302.75 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID119401468
Molecular FormulaC14H17ClF2N2O
Molecular Weight302.75 g/mol
Exact Mass302.10
IUPAC Name[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(C1CC1c1cc(F)ccc1F)N1CCNCC1
InChIInChI=1S/C14H16F2N2O.ClH/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;1H
InChIKeyBGHMIKZOXFPZHI-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 119401469
[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571881
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735897
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
[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607198
1-[2-(2,5-difluorophenyl)cyclopropanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119257216
[(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
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 120659754
2-(2,5-difluorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120811046
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 129348570

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride (CID 119401468) is [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(C1CC1c1cc(F)ccc1F)N1CCNCC1.
What is the InChIKey of [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is BGHMIKZOXFPZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O.ClH/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;1H.
What are the key properties of [2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride?
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 302.75 g/mol, XLogP of 1.92, 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;hydrochloride is sourced from PubChem (CID 119401468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).