2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one

C15H19F3N2O — CID 162177680

IUPAC2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one
SMILESO=C1CC(N2CCC(C(F)(F)F)CC2)=NC2=C1CCCC2
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)10-5-7-20(8-6-10)14-9-13(21)11-3-1-2-4-12(11)19-14/h10H,1-9H2
InChIKeyZOPJOOYYMZXTQV-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.46
Rot. Bonds

About 2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one

2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one (PubChem CID 162177680) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one
PubChem CID162177680
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC Name2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one
SMILESO=C1CC(N2CCC(C(F)(F)F)CC2)=NC2=C1CCCC2
InChIInChI=1S/C15H19F3N2O/c16-15(17,18)10-5-7-20(8-6-10)14-9-13(21)11-3-1-2-4-12(11)19-14/h10H,1-9H2
InChIKeyZOPJOOYYMZXTQV-UHFFFAOYSA-N
XLogP3.46
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 133461386
3-[(E)-2-methanimidoyl-3-oxo-3-[4-(trifluoromethyl)piperidin-1-yl]prop-1-enyl]-4,6,7,8-tetrahydrocyclopenta[e][1,2,4]triazepin-5-one
CID 145287345
4-[4-(trifluoromethyl)piperidin-1-yl]pteridine
CID 175987024
1-piperidin-1-yl-4-(trifluoromethyl)piperidine
CID 149253301
1-pyrrolidin-1-ylsulfonyl-4-(trifluoromethyl)piperidine
CID 127364965
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
3-(2-oxopyrrolidin-1-yl)-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]propanamide
CID 166062263
2-chloro-4-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 103757124
5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363237
3-cyclopropyl-6-[4-(trifluoromethyl)piperidin-1-yl]pyridazine
CID 171327910
1,2,3,5,6,7,8,9-octahydropyrrolo[2,1-b]quinazoline
CID 24870779
4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]-1,3-oxazole-5-carboxylic acid
CID 87343436

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one?
The IUPAC name of 2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one (CID 162177680) is 2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one.
What is the SMILES notation for 2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one?
The canonical SMILES for 2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one is O=C1CC(N2CCC(C(F)(F)F)CC2)=NC2=C1CCCC2.
What is the InChIKey of 2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one?
The InChIKey is ZOPJOOYYMZXTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c16-15(17,18)10-5-7-20(8-6-10)14-9-13(21)11-3-1-2-4-12(11)19-14/h10H,1-9H2.
What are the key properties of 2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one?
2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one has a molecular weight of 300.32 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)piperidin-1-yl]-5,6,7,8-tetrahydro-3H-quinolin-4-one is sourced from PubChem (CID 162177680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).