4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride

C6H12ClN — CID 13241116

IUPAC4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCC1=CCNCC1.Cl
InChIInChI=1S/C6H11N.ClH/c1-6-2-4-7-5-3-6;/h2,7H,3-5H2,1H3;1H
InChIKeyZCJOZBAPTJGKNC-UHFFFAOYSA-N
MW133.62 g/mol
LogP1.35
Rot. Bonds

About 4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride

4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 13241116) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is 4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID13241116
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCC1=CCNCC1.Cl
InChIInChI=1S/C6H11N.ClH/c1-6-2-4-7-5-3-6;/h2,7H,3-5H2,1H3;1H
InChIKeyZCJOZBAPTJGKNC-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride (CID 13241116) is 4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride is CC1=CCNCC1.Cl.
What is the InChIKey of 4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is ZCJOZBAPTJGKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.ClH/c1-6-2-4-7-5-3-6;/h2,7H,3-5H2,1H3;1H.
What are the key properties of 4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride?
4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 133.62 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 13241116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).