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

C12H16ClNO — CID 21289058

IUPAC4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCOc1cccc(C2=CCNCC2)c1.Cl
InChIInChI=1S/C12H15NO.ClH/c1-14-12-4-2-3-11(9-12)10-5-7-13-8-6-10;/h2-5,9,13H,6-8H2,1H3;1H
InChIKeyHAPHGSWHUVIAMY-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.49
Rot. Bonds2

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

4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 21289058) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID21289058
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCOc1cccc(C2=CCNCC2)c1.Cl
InChIInChI=1S/C12H15NO.ClH/c1-14-12-4-2-3-11(9-12)10-5-7-13-8-6-10;/h2-5,9,13H,6-8H2,1H3;1H
InChIKeyHAPHGSWHUVIAMY-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-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride (CID 21289058) is 4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride is COc1cccc(C2=CCNCC2)c1.Cl.
What is the InChIKey of 4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is HAPHGSWHUVIAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.ClH/c1-14-12-4-2-3-11(9-12)10-5-7-13-8-6-10;/h2-5,9,13H,6-8H2,1H3;1H.
What are the key properties of 4-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
4-(3-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-(3-methoxyphenyl)-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 21289058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).