1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

C15H18F3NO — CID 22248330

IUPAC1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCC1(C(=O)Cc2ccccc2C(F)(F)F)CCNCC1
InChIInChI=1S/C15H18F3NO/c1-14(6-8-19-9-7-14)13(20)10-11-4-2-3-5-12(11)15(16,17)18/h2-5,19H,6-10H2,1H3
InChIKeyVKQFXGIHKMVQKC-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone

1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 22248330) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID22248330
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
SMILESCC1(C(=O)Cc2ccccc2C(F)(F)F)CCNCC1
InChIInChI=1S/C15H18F3NO/c1-14(6-8-19-9-7-14)13(20)10-11-4-2-3-5-12(11)15(16,17)18/h2-5,19H,6-10H2,1H3
InChIKeyVKQFXGIHKMVQKC-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-methyl-4-[2-[2-(trifluoromethyl)phenyl]acetyl]piperidine-1-carboxylate
CID 22248290
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one
CID 68788369
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 114697103
methyl 2-methyl-4-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 117270179
3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 63132643
2-(4-bromophenyl)-1-(4-methylpiperidin-4-yl)ethanone
CID 116567626
(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 124570457
2-(2-bromophenyl)-1-[3-(trifluoromethyl)pyrrolidin-3-yl]ethanone
CID 116572808

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone (CID 22248330) is 1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is CC1(C(=O)Cc2ccccc2C(F)(F)F)CCNCC1.
What is the InChIKey of 1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is VKQFXGIHKMVQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-14(6-8-19-9-7-14)13(20)10-11-4-2-3-5-12(11)15(16,17)18/h2-5,19H,6-10H2,1H3.
What are the key properties of 1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone?
1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 285.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 22248330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).