piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C12H17F3N2O — CID 114489894

IUPACpiperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(C1CCNCC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)10-3-7-17(8-4-10)11(18)9-1-5-16-6-2-9/h3,9,16H,1-2,4-8H2
InChIKeyXAWNCISCGCZYQM-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.71
Rot. Bonds1

About piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114489894) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Namepiperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114489894
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Namepiperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(C1CCNCC1)N1CC=C(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)10-3-7-17(8-4-10)11(18)9-1-5-16-6-2-9/h3,9,16H,1-2,4-8H2
InChIKeyXAWNCISCGCZYQM-UHFFFAOYSA-N
XLogP1.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676921
N-ethyl-1-(2-methylpent-2-enoyl)piperidine-4-carboxamide
CID 72155674
2,2,2-trifluoro-N-[(E)-2-methylidene-4-piperidin-4-ylpent-3-enyl]acetamide
CID 88940834
2,2,2-trifluoro-N-(2-methylidene-4-piperidin-4-ylpent-3-enyl)acetamide
CID 123222641
3-[[(E)-2,2-difluoropent-3-enyl]amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 171492766
N-prop-2-enyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 71684083
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 71866672
2-(cyclohexen-1-yl)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]acetamide
CID 71983936
(4-Aminocyclopent-2-en-1-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 79207068
[(3R)-piperidin-3-yl]-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 104930313
(3S)-3-(aminomethyl)-5-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]hexan-1-one
CID 104930316
(2-methylpiperidin-4-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 106740744

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114489894) is piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(C1CCNCC1)N1CC=C(C(F)(F)F)CC1.
What is the InChIKey of piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is XAWNCISCGCZYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)10-3-7-17(8-4-10)11(18)9-1-5-16-6-2-9/h3,9,16H,1-2,4-8H2.
What are the key properties of piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 262.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114489894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).