[5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone

C16H18F3NO — CID 171362003

IUPAC[5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESC=Cc1ccc(C(F)(F)F)c(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C16H18F3NO/c1-3-12-6-7-14(16(17,18)19)13(9-12)15(21)20-8-4-5-11(2)10-20/h3,6-7,9,11H,1,4-5,8,10H2,2H3
InChIKeyPLGOXBVJKWEVRL-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.22
Rot. Bonds2

About [5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone

[5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 171362003) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is [5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
PubChem CID171362003
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name[5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
SMILESC=Cc1ccc(C(F)(F)F)c(C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C16H18F3NO/c1-3-12-6-7-14(16(17,18)19)13(9-12)15(21)20-8-4-5-11(2)10-20/h3,6-7,9,11H,1,4-5,8,10H2,2H3
InChIKeyPLGOXBVJKWEVRL-UHFFFAOYSA-N
XLogP4.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylazepan-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 84581077
[4-amino-3-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 62155715
5-ethenyl-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 171361984
(3-methylpiperidin-1-yl)-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 134005087
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
(2-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 43176525
2-[3-amino-4-(trifluoromethyl)phenoxy]-1-(3-methylpiperidin-1-yl)ethanone
CID 171392213
(2-chlorophenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 668837
5-ethenyl-N-ethyl-2-(trifluoromethyl)benzamide
CID 171361983
(3R)-1-[2-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 51518671
(2-bromophenyl)-(3-methylpiperidin-1-yl)methanone
CID 2842644

Frequently Asked Questions

What is the IUPAC name of [5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone (CID 171362003) is [5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone is C=Cc1ccc(C(F)(F)F)c(C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of [5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is PLGOXBVJKWEVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-3-12-6-7-14(16(17,18)19)13(9-12)15(21)20-8-4-5-11(2)10-20/h3,6-7,9,11H,1,4-5,8,10H2,2H3.
What are the key properties of [5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone?
[5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 297.32 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethenyl-2-(trifluoromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 171362003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).