2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine

C17H30N2 — CID 21330385

IUPAC2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine
SMILESC=CCC1C(N2CCCCC2)=CC(C)(C)NC1(C)C
InChIInChI=1S/C17H30N2/c1-6-10-14-15(19-11-8-7-9-12-19)13-16(2,3)18-17(14,4)5/h6,13-14,18H,1,7-12H2,2-5H3
InChIKeyVZVMNQHSYHYKFH-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.71
Rot. Bonds3

About 2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine

2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine (PubChem CID 21330385) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine
PubChem CID21330385
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine
SMILESC=CCC1C(N2CCCCC2)=CC(C)(C)NC1(C)C
InChIInChI=1S/C17H30N2/c1-6-10-14-15(19-11-8-7-9-12-19)13-16(2,3)18-17(14,4)5/h6,13-14,18H,1,7-12H2,2-5H3
InChIKeyVZVMNQHSYHYKFH-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.71
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-(3,3,5,5-tetramethylcyclohexen-1-yl)piperidine
CID 14892748
(3aR,6aS)-3a,6a-dimethyl-1-prop-2-enyl-3,4,5,6-tetrahydro-1H-pentalen-2-one
CID 134894502
3-benzyl-1,2,2-trimethyl-4-pyrrolidin-1-yl-3H-pyridin-1-ium iodide
CID 146657817
(8R,8aR)-8-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 76850671
1,1,3,3-tetramethyl-2-prop-2-enylcyclohexane
CID 173414387
lithium ethenyl(piperidin-1-yl)azanide
CID 11332484
(2S)-2-ethenyl-N-(3-methanimidoylbuta-1,3-dien-2-yl)-2-methyl-6-piperidin-1-yl-1,3-dihydroinden-5-amine
CID 129298525
1-ethyl-2-prop-2-enylpyrrolidine
CID 11829524
1-(2-prop-2-enylpiperidin-1-yl)ethanone
CID 11116438
5-methyl-2-piperidin-1-ylcyclopent-2-ene-1-carbaldehyde
CID 174433298
1-[(2S)-2-prop-2-enylpiperidin-1-yl]ethanone
CID 93476405
(1R,2S,6S)-4-methyl-2-prop-2-enyl-7-azabicyclo[4.1.0]hept-3-ene
CID 59076526

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine?
The IUPAC name of 2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine (CID 21330385) is 2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine is C=CCC1C(N2CCCCC2)=CC(C)(C)NC1(C)C.
What is the InChIKey of 2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine?
The InChIKey is VZVMNQHSYHYKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-10-14-15(19-11-8-7-9-12-19)13-16(2,3)18-17(14,4)5/h6,13-14,18H,1,7-12H2,2-5H3.
What are the key properties of 2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine?
2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine has a molecular weight of 262.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-piperidin-1-yl-3-prop-2-enyl-1,3-dihydropyridine is sourced from PubChem (CID 21330385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).