[2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride

C20H20Cl2F2N2O — CID 120738408

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride
SMILESCl.O=C(C1CC1c1cccc(F)c1F)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C20H19ClF2N2O.ClH/c21-16-6-2-1-4-13(16)18-11-24-8-9-25(18)20(26)15-10-14(15)12-5-3-7-17(22)19(12)23;/h1-7,14-15,18,24H,8-11H2;1H
InChIKeyDELMLSROQORQNF-UHFFFAOYSA-N
MW413.30 g/mol
LogP4.32
Rot. Bonds3

About [2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride

[2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride (PubChem CID 120738408) has the molecular formula C20H20Cl2F2N2O and a molecular weight of 413.30 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride
PubChem CID120738408
Molecular FormulaC20H20Cl2F2N2O
Molecular Weight413.30 g/mol
Exact Mass412.09
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride
SMILESCl.O=C(C1CC1c1cccc(F)c1F)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C20H19ClF2N2O.ClH/c21-16-6-2-1-4-13(16)18-11-24-8-9-25(18)20(26)15-10-14(15)12-5-3-7-17(22)19(12)23;/h1-7,14-15,18,24H,8-11H2;1H
InChIKeyDELMLSROQORQNF-UHFFFAOYSA-N
XLogP4.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.30
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 124695333
[2-(2,3-dichlorophenyl)cyclopropyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877549
[2-(2,4-dichlorophenyl)cyclopropyl]-(2-pyridin-3-ylpiperazin-1-yl)methanone;hydrochloride
CID 120729008
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-naphthalen-1-ylcyclopropyl)methanone;hydrochloride
CID 120732828
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733139
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120739774
1-[2-(2-chlorophenyl)piperazin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 120739225
(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492
[2-(2-chlorophenyl)piperazin-1-yl]-(thiadiazol-5-yl)methanone;hydrochloride
CID 120738665

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride (CID 120738408) is [2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride is Cl.O=C(C1CC1c1cccc(F)c1F)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride?
The InChIKey is DELMLSROQORQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N2O.ClH/c21-16-6-2-1-4-13(16)18-11-24-8-9-25(18)20(26)15-10-14(15)12-5-3-7-17(22)19(12)23;/h1-7,14-15,18,24H,8-11H2;1H.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride?
[2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride has a molecular weight of 413.30 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-[2-(2,3-difluorophenyl)cyclopropyl]methanone;hydrochloride is sourced from PubChem (CID 120738408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).