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

C14H16F3NO — CID 71654429

IUPAC1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO/c1-10(19)18-8-6-11(7-9-18)12-4-2-3-5-13(12)14(15,16)17/h2-5,11H,6-9H2,1H3
InChIKeyLVNMJYOAXHFGIK-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.43
Rot. Bonds1

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

1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone (PubChem CID 71654429) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
PubChem CID71654429
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C14H16F3NO/c1-10(19)18-8-6-11(7-9-18)12-4-2-3-5-13(12)14(15,16)17/h2-5,11H,6-9H2,1H3
InChIKeyLVNMJYOAXHFGIK-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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AI3-37156
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Piperidine, N-acetyl-4-benzyl-
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1-Propyl-4-(3-trifluoromethyl-phenyl)-piperidine
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1-[4-[(4-Fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 21133880
1-Methyl-5-phenyl-piperidin-2-one
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CID 756869
4,4,4-trifluoro-N-({1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylbutanamide
CID 23723278
2-Oxo-2-(4-(2-(trifluoromethyl)phenyl)piperidin-1-yl)acetic acid
CID 117607537
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone (CID 71654429) is 1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
The InChIKey is LVNMJYOAXHFGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-10(19)18-8-6-11(7-9-18)12-4-2-3-5-13(12)14(15,16)17/h2-5,11H,6-9H2,1H3.
What are the key properties of 1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone?
1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone has a molecular weight of 271.28 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 71654429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).