5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene

C13H22N2 — CID 143703557

IUPAC5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene
SMILESC1=NCCC=C1N1CCCCC1.C=CC
InChIInChI=1S/C10H16N2.C3H6/c1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-3-2/h5,9H,1-4,6-8H2;3H,1H2,2H3
InChIKeySGMOIPHSNISKIJ-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.02
Rot. Bonds1

About 5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene

5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene (PubChem CID 143703557) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene.

Molecular Properties

Compound Name5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene
PubChem CID143703557
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene
SMILESC1=NCCC=C1N1CCCCC1.C=CC
InChIInChI=1S/C10H16N2.C3H6/c1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-3-2/h5,9H,1-4,6-8H2;3H,1H2,2H3
InChIKeySGMOIPHSNISKIJ-UHFFFAOYSA-N
XLogP3.02
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.02
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

2,2-Dimethyl-4-piperidino-2,3-dihydropyridin
CID 137530180
N-(1,2,2-trimethyl-1,2,3,4-tetrahydropyridin-4-ylidene)piperidin-1-ium iodide
CID 156630785
6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine
CID 145198060
2-Methylidene-1-propan-2-yl-5,6,7,8-tetrahydroquinoxaline
CID 23594815
1-(2,3-Dihydropyridin-4-yl)-4-methylpiperazine
CID 123139522
4-Piperidin-1-yl-2,5-dihydropyridine
CID 129208888
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
ethane;6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine
CID 145198059
3-Methyl-5-(piperidin-1-ylmethyl)-1lambda3-ioda-2,6-diazacyclohexa-1,3,5-triene
CID 163474338
1-(2,3-Dihydropyridin-5-yl)-4-methylpiperazine;ethane
CID 170605103
(E)-N-methyl-2-piperidin-1-ylbut-2-en-1-imine
CID 13699558
(E)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine
CID 13699560

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene?
The IUPAC name of 5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene (CID 143703557) is 5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene.
What is the SMILES notation for 5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene?
The canonical SMILES for 5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene is C1=NCCC=C1N1CCCCC1.C=CC.
What is the InChIKey of 5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene?
The InChIKey is SGMOIPHSNISKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C3H6/c1-2-7-12(8-3-1)10-5-4-6-11-9-10;1-3-2/h5,9H,1-4,6-8H2;3H,1H2,2H3.
What are the key properties of 5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene?
5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene has a molecular weight of 206.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-2,3-dihydropyridine;prop-1-ene is sourced from PubChem (CID 143703557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).