4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride

C7H14ClNO — CID 75481406

IUPAC4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCOCC1=CCNCC1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-9-6-7-2-4-8-5-3-7;/h2,8H,3-6H2,1H3;1H
InChIKeyPBECZQGBKJHTHS-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.97
Rot. Bonds2

About 4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride

4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 75481406) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID75481406
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCOCC1=CCNCC1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-9-6-7-2-4-8-5-3-7;/h2,8H,3-6H2,1H3;1H
InChIKeyPBECZQGBKJHTHS-UHFFFAOYSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride (CID 75481406) is 4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride is COCC1=CCNCC1.Cl.
What is the InChIKey of 4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is PBECZQGBKJHTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-9-6-7-2-4-8-5-3-7;/h2,8H,3-6H2,1H3;1H.
What are the key properties of 4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 75481406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).