2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone

C16H20F3NO — CID 87872491

IUPAC2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
SMILESCC(C)c1cccc(C2CCN(C(=O)C(F)(F)F)CC2)c1
InChIInChI=1S/C16H20F3NO/c1-11(2)13-4-3-5-14(10-13)12-6-8-20(9-7-12)15(21)16(17,18)19/h3-5,10-12H,6-9H2,1-2H3
InChIKeyJHYWYSIZFNGHSQ-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.08
Rot. Bonds2

About 2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone

2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone (PubChem CID 87872491) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
PubChem CID87872491
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
SMILESCC(C)c1cccc(C2CCN(C(=O)C(F)(F)F)CC2)c1
InChIInChI=1S/C16H20F3NO/c1-11(2)13-4-3-5-14(10-13)12-6-8-20(9-7-12)15(21)16(17,18)19/h3-5,10-12H,6-9H2,1-2H3
InChIKeyJHYWYSIZFNGHSQ-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dihydroxypiperidin-2-yl)-[4-(3-propan-2-ylphenyl)piperidin-1-yl]methanone
CID 174517475
1-morpholin-4-yl-2-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone
CID 67401317
4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzaldehyde
CID 22077176
3-(hydroxycarbamoyl)-2-[4-(3-propan-2-ylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylic acid
CID 174517256
1-methylsulfonyl-3-(3-propan-2-ylphenyl)piperidine
CID 91106019
1-methyl-3-(3-propan-2-ylphenyl)azetidine
CID 166510487
1-(4-aminopiperidin-1-yl)-2-methyl-2-(3-propan-2-ylphenoxy)propan-1-one
CID 92925662
2-amino-2-[3-(1-methylpiperidin-4-yl)phenyl]acetic acid
CID 117374139
tert-butyl N-[4-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]phenyl]carbamate
CID 122170309
2,2-diethyl-1-(4-phenylpiperidin-1-yl)butan-1-one
CID 13249816
1-piperidin-1-yl-2-[4-(3-propan-2-ylphenyl)piperidin-2-yl]ethanone
CID 173069596
[3-(difluoromethyl)-3-hydroxycyclobutyl]-[(6R)-6-(3-propan-2-ylphenyl)-2-azaspiro[3.4]octan-2-yl]methanone
CID 175699521

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone (CID 87872491) is 2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone is CC(C)c1cccc(C2CCN(C(=O)C(F)(F)F)CC2)c1.
What is the InChIKey of 2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone?
The InChIKey is JHYWYSIZFNGHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-11(2)13-4-3-5-14(10-13)12-6-8-20(9-7-12)15(21)16(17,18)19/h3-5,10-12H,6-9H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone?
2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone has a molecular weight of 299.34 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-(3-propan-2-ylphenyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 87872491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).