5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine

C13H22N2 — CID 90696324

IUPAC5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine
SMILESC=CCC1=NCCCC1N1CCCCC1
InChIInChI=1S/C13H22N2/c1-2-7-12-13(8-6-9-14-12)15-10-4-3-5-11-15/h2,13H,1,3-11H2
InChIKeyDFGBUCQXBHAQCC-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.65
Rot. Bonds3

About 5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine

5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine (PubChem CID 90696324) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine
PubChem CID90696324
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine
SMILESC=CCC1=NCCCC1N1CCCCC1
InChIInChI=1S/C13H22N2/c1-2-7-12-13(8-6-9-14-12)15-10-4-3-5-11-15/h2,13H,1,3-11H2
InChIKeyDFGBUCQXBHAQCC-UHFFFAOYSA-N
XLogP2.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Piperidin-1-yl-6-prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 123144126
2-(1-Methylpiperidin-2-yl)-3,4-dihydropyridine
CID 142975345
2-(Piperidin-1-ylmethyl)-3,4-dihydropyridine
CID 144046070
(2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine
CID 154677328
1-Methyl-2-prop-2-enylpiperidine-3,4-diimine
CID 145255895
1-Methyl-2,3,8,8a-tetrahydro-1,5-naphthyridin-4-imine
CID 145255956

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine?
The IUPAC name of 5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine (CID 90696324) is 5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine is C=CCC1=NCCCC1N1CCCCC1.
What is the InChIKey of 5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine?
The InChIKey is DFGBUCQXBHAQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-7-12-13(8-6-9-14-12)15-10-4-3-5-11-15/h2,13H,1,3-11H2.
What are the key properties of 5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine?
5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine has a molecular weight of 206.33 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-6-prop-2-enyl-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 90696324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).