(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone

C18H22F3NO — CID 86914418

IUPAC(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESCC1CC(C)CN(C(=O)C2CC2c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H22F3NO/c1-11-7-12(2)10-22(9-11)17(23)15-8-14(15)13-5-3-4-6-16(13)18(19,20)21/h3-6,11-12,14-15H,7-10H2,1-2H3
InChIKeyYRGZMLCJAWWMOE-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.31
Rot. Bonds2

About (3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone

(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone (PubChem CID 86914418) has the molecular formula C18H22F3NO and a molecular weight of 325.37 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
PubChem CID86914418
Molecular FormulaC18H22F3NO
Molecular Weight325.37 g/mol
Exact Mass325.17
IUPAC Name(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
SMILESCC1CC(C)CN(C(=O)C2CC2c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C18H22F3NO/c1-11-7-12(2)10-22(9-11)17(23)15-8-14(15)13-5-3-4-6-16(13)18(19,20)21/h3-6,11-12,14-15H,7-10H2,1-2H3
InChIKeyYRGZMLCJAWWMOE-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

piperazin-1-yl-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124698455
(4-hydroxypiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 110883937
4-hydroxy-1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 119250918
(4-benzylpiperazin-1-yl)-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 97262774
[(2R)-2-methylpiperazin-1-yl]-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 124571143
2-[methyl-[(4R)-1-[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]azepan-4-yl]amino]acetic acid
CID 129429825
[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 56809621
N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78832857
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]piperidin-4-yl]methanone
CID 134042210
(2-amino-2-oxoethyl) 2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 71900564
(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 2762151

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone (CID 86914418) is (3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone is CC1CC(C)CN(C(=O)C2CC2c2ccccc2C(F)(F)F)C1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
The InChIKey is YRGZMLCJAWWMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO/c1-11-7-12(2)10-22(9-11)17(23)15-8-14(15)13-5-3-4-6-16(13)18(19,20)21/h3-6,11-12,14-15H,7-10H2,1-2H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone?
(3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone has a molecular weight of 325.37 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanone is sourced from PubChem (CID 86914418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).