4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride

C11H16Cl2N2 — CID 71758030

IUPAC4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride
SMILESCc1ccncc1C1=CCNCC1.Cl.Cl
InChIInChI=1S/C11H14N2.2ClH/c1-9-2-5-13-8-11(9)10-3-6-12-7-4-10;;/h2-3,5,8,12H,4,6-7H2,1H3;2*1H
InChIKeyFTXBSBOYFXQMNQ-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.61
Rot. Bonds1

About 4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride

4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride (PubChem CID 71758030) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride.

Molecular Properties

Compound Name4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride
PubChem CID71758030
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride
SMILESCc1ccncc1C1=CCNCC1.Cl.Cl
InChIInChI=1S/C11H14N2.2ClH/c1-9-2-5-13-8-11(9)10-3-6-12-7-4-10;;/h2-3,5,8,12H,4,6-7H2,1H3;2*1H
InChIKeyFTXBSBOYFXQMNQ-UHFFFAOYSA-N
XLogP2.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride?
The IUPAC name of 4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride (CID 71758030) is 4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride.
What is the SMILES notation for 4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride?
The canonical SMILES for 4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride is Cc1ccncc1C1=CCNCC1.Cl.Cl.
What is the InChIKey of 4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride?
The InChIKey is FTXBSBOYFXQMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.2ClH/c1-9-2-5-13-8-11(9)10-3-6-12-7-4-10;;/h2-3,5,8,12H,4,6-7H2,1H3;2*1H.
What are the key properties of 4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride?
4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride has a molecular weight of 247.17 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)pyridine;dihydrochloride is sourced from PubChem (CID 71758030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).