[2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone

C14H16F3NO2 — CID 82550498

IUPAC[2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)C1CCCNC1
InChIInChI=1S/C14H16F3NO2/c1-20-12-5-4-10(14(15,16)17)7-11(12)13(19)9-3-2-6-18-8-9/h4-5,7,9,18H,2-3,6,8H2,1H3
InChIKeyHXLQUVGAQNEVOT-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.90
Rot. Bonds3

About [2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone

[2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone (PubChem CID 82550498) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is [2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone
PubChem CID82550498
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name[2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone
SMILESCOc1ccc(C(F)(F)F)cc1C(=O)C1CCCNC1
InChIInChI=1S/C14H16F3NO2/c1-20-12-5-4-10(14(15,16)17)7-11(12)13(19)9-3-2-6-18-8-9/h4-5,7,9,18H,2-3,6,8H2,1H3
InChIKeyHXLQUVGAQNEVOT-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxyphenyl)-[(3S)-piperidin-3-yl]methanone
CID 93188912
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
(5-tert-butyl-2-methoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82049737
(3-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568282
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
2-bromo-2,2-difluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 146009299
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
cyclobutyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161686
cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
CID 82262902
(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone?
The IUPAC name of [2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone (CID 82550498) is [2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone.
What is the SMILES notation for [2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone?
The canonical SMILES for [2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone is COc1ccc(C(F)(F)F)cc1C(=O)C1CCCNC1.
What is the InChIKey of [2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone?
The InChIKey is HXLQUVGAQNEVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-20-12-5-4-10(14(15,16)17)7-11(12)13(19)9-3-2-6-18-8-9/h4-5,7,9,18H,2-3,6,8H2,1H3.
What are the key properties of [2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone?
[2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone has a molecular weight of 287.28 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-(trifluoromethyl)phenyl]-piperidin-3-ylmethanone is sourced from PubChem (CID 82550498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).