[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

C16H21ClF2N2O — CID 120571881

IUPAC[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)C2CC2c2cc(F)ccc2F)C1C.Cl
InChIInChI=1S/C16H20F2N2O.ClH/c1-9-10(2)20(6-5-19-9)16(21)14-8-12(14)13-7-11(17)3-4-15(13)18;/h3-4,7,9-10,12,14,19H,5-6,8H2,1-2H3;1H
InChIKeyUKCLXKULIVXGKJ-UHFFFAOYSA-N
MW330.81 g/mol
LogP2.70
Rot. Bonds2

About [2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride

[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 120571881) has the molecular formula C16H21ClF2N2O and a molecular weight of 330.81 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
PubChem CID120571881
Molecular FormulaC16H21ClF2N2O
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1NCCN(C(=O)C2CC2c2cc(F)ccc2F)C1C.Cl
InChIInChI=1S/C16H20F2N2O.ClH/c1-9-10(2)20(6-5-19-9)16(21)14-8-12(14)13-7-11(17)3-4-15(13)18;/h3-4,7,9-10,12,14,19H,5-6,8H2,1-2H3;1H
InChIKeyUKCLXKULIVXGKJ-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572434
[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570451
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401468
(2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone
CID 120572372
[2-(2,5-difluorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 119401469
(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570274
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120735897
[2-(2,5-difluorophenyl)cyclopropyl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733139
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 120571014
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

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride (CID 120571881) is [2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is CC1NCCN(C(=O)C2CC2c2cc(F)ccc2F)C1C.Cl.
What is the InChIKey of [2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is UKCLXKULIVXGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2O.ClH/c1-9-10(2)20(6-5-19-9)16(21)14-8-12(14)13-7-11(17)3-4-15(13)18;/h3-4,7,9-10,12,14,19H,5-6,8H2,1-2H3;1H.
What are the key properties of [2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride?
[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 2.70, 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]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120571881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).