1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

C11H17F3N2 — CID 114489973

IUPAC1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(C2CCNCC2)CC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)9-3-7-16(8-4-9)10-1-5-15-6-2-10/h3,10,15H,1-2,4-8H2
InChIKeyCOKARVWJRIHJSG-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.93
Rot. Bonds1

About 1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine

1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 114489973) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID114489973
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFC(F)(F)C1=CCN(C2CCNCC2)CC1
InChIInChI=1S/C11H17F3N2/c12-11(13,14)9-3-7-16(8-4-9)10-1-5-15-6-2-10/h3,10,15H,1-2,4-8H2
InChIKeyCOKARVWJRIHJSG-UHFFFAOYSA-N
XLogP1.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.93
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

N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
1-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine
CID 86678245
3-N-piperidin-4-yl-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine
CID 134408941
1-[(3E)-3-ethyl-2,2-difluorohexa-3,5-dienyl]piperidin-4-amine
CID 137467745
(3S,4R)-3-fluoro-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
CID 137547838
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine
CID 143280108
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
CID 144962807
N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-1-methylpiperidin-4-amine
CID 145515573
N-[(2E)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]-1-methylpiperidin-4-amine
CID 145520189
3-(4-Fluorocyclohexa-1,3-dien-1-yl)-1-(2-fluoroethyl)piperazine
CID 163520633
1-[(3,5-Difluorocyclohexa-1,5-dien-1-yl)methyl]piperidin-4-amine
CID 163724671

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine (CID 114489973) is 1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is FC(F)(F)C1=CCN(C2CCNCC2)CC1.
What is the InChIKey of 1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is COKARVWJRIHJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2/c12-11(13,14)9-3-7-16(8-4-9)10-1-5-15-6-2-10/h3,10,15H,1-2,4-8H2.
What are the key properties of 1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine?
1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 234.26 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 114489973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).