1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine

C11H16F3N — CID 166702388

IUPAC1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(CC=C2CC2)CC1
InChIInChI=1S/C11H16F3N/c12-11(13,14)10-4-7-15(8-5-10)6-3-9-1-2-9/h3,10H,1-2,4-8H2
InChIKeySYEGFKJZXRDYLU-UHFFFAOYSA-N
MW219.25 g/mol
LogP2.98
Rot. Bonds2

About 1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine

1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine (PubChem CID 166702388) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine
PubChem CID166702388
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(CC=C2CC2)CC1
InChIInChI=1S/C11H16F3N/c12-11(13,14)10-4-7-15(8-5-10)6-3-9-1-2-9/h3,10H,1-2,4-8H2
InChIKeySYEGFKJZXRDYLU-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine
CID 118500396
4-[(E)-5-fluorohept-2-en-2-yl]-1-methylpiperidine
CID 134365732
1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine
CID 140996572
(4R)-4-[(E)-but-2-en-2-yl]-3,3-difluoro-1-methylpiperidine
CID 142523581
2-ethyl-7-(trifluoromethyl)-3,4,4a,5-tetrahydro-1H-isoquinoline
CID 143866491
4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 155484976
1-[(2,2-Difluorocyclopropyl)methyl]-4-(5-fluoro-2-methylcyclohexa-1,5-dien-1-yl)piperidine
CID 173051074
1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 176702205
1-Propyl-4-(3,3,3-trifluoropropylidene)piperidine
CID 14400290

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine (CID 166702388) is 1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine is FC(F)(F)C1CCN(CC=C2CC2)CC1.
What is the InChIKey of 1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine?
The InChIKey is SYEGFKJZXRDYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c12-11(13,14)10-4-7-15(8-5-10)6-3-9-1-2-9/h3,10H,1-2,4-8H2.
What are the key properties of 1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine?
1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine has a molecular weight of 219.25 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylideneethyl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 166702388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).