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

C12H16ClNO — CID 71742594

IUPAC4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCOc1ccccc1C1=CCNCC1.Cl
InChIInChI=1S/C12H15NO.ClH/c1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;/h2-6,13H,7-9H2,1H3;1H
InChIKeyUOLOLHOJGYPNNY-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.49
Rot. Bonds2

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

4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 71742594) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID71742594
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCOc1ccccc1C1=CCNCC1.Cl
InChIInChI=1S/C12H15NO.ClH/c1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;/h2-6,13H,7-9H2,1H3;1H
InChIKeyUOLOLHOJGYPNNY-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride (CID 71742594) is 4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride is COc1ccccc1C1=CCNCC1.Cl.
What is the InChIKey of 4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is UOLOLHOJGYPNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-14-12-5-3-2-4-11(12)10-6-8-13-9-7-10;/h2-6,13H,7-9H2,1H3;1H.
What are the key properties of 4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 225.72 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 71742594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).