(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone

C17H21F3N2O — CID 120571015

IUPAC(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESCC1NCCN(C(=O)C2CC2c2cccc(C(F)(F)F)c2)C1C
InChIInChI=1S/C17H21F3N2O/c1-10-11(2)22(7-6-21-10)16(23)15-9-14(15)12-4-3-5-13(8-12)17(18,19)20/h3-5,8,10-11,14-15,21H,6-7,9H2,1-2H3
InChIKeyYDBSDJRUGURLNA-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.02
Rot. Bonds2

About (2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone

(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 120571015) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID120571015
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESCC1NCCN(C(=O)C2CC2c2cccc(C(F)(F)F)c2)C1C
InChIInChI=1S/C17H21F3N2O/c1-10-11(2)22(7-6-21-10)16(23)15-9-14(15)12-4-3-5-13(8-12)17(18,19)20/h3-5,8,10-11,14-15,21H,6-7,9H2,1-2H3
InChIKeyYDBSDJRUGURLNA-UHFFFAOYSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 120571014
[(3R)-3-methylpiperazin-1-yl]-[(1S,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124620612
(2R)-1-[(1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 124703025
(2S)-1-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 119365687
[2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572434
[4-(methylamino)piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 119561835
(2,3-dimethylpiperazin-1-yl)-[2-(2-methylphenyl)cyclopropyl]methanone
CID 120572372
(3-piperazin-1-ylpyrrolidin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone;hydrochloride
CID 120996310
[2-(2,5-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571881
[2-(2,4-dichlorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570451
[4-[2-methyl-5-(trifluoromethyl)phenyl]piperazin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 130471079
(2,3-dimethylpiperazin-1-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 120573034

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 120571015) is (2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone is CC1NCCN(C(=O)C2CC2c2cccc(C(F)(F)F)c2)C1C.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is YDBSDJRUGURLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O/c1-10-11(2)22(7-6-21-10)16(23)15-9-14(15)12-4-3-5-13(8-12)17(18,19)20/h3-5,8,10-11,14-15,21H,6-7,9H2,1-2H3.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone?
(2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 326.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 120571015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).