2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride

C17H21ClN2O — CID 118741830

IUPAC2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride
SMILESCOc1ccc(-c2cc(C3CCCNC3)ccn2)cc1.Cl
InChIInChI=1S/C17H20N2O.ClH/c1-20-16-6-4-13(5-7-16)17-11-14(8-10-19-17)15-3-2-9-18-12-15;/h4-8,10-11,15,18H,2-3,9,12H2,1H3;1H
InChIKeyQYCPHAHNUZXJNA-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.65
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride

2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride (PubChem CID 118741830) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride
PubChem CID118741830
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride
SMILESCOc1ccc(-c2cc(C3CCCNC3)ccn2)cc1.Cl
InChIInChI=1S/C17H20N2O.ClH/c1-20-16-6-4-13(5-7-16)17-11-14(8-10-19-17)15-3-2-9-18-12-15;/h4-8,10-11,15,18H,2-3,9,12H2,1H3;1H
InChIKeyQYCPHAHNUZXJNA-UHFFFAOYSA-N
XLogP3.65
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride (CID 118741830) is 2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride is COc1ccc(-c2cc(C3CCCNC3)ccn2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride?
The InChIKey is QYCPHAHNUZXJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c1-20-16-6-4-13(5-7-16)17-11-14(8-10-19-17)15-3-2-9-18-12-15;/h4-8,10-11,15,18H,2-3,9,12H2,1H3;1H.
What are the key properties of 2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride?
2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-piperidin-3-ylpyridine;hydrochloride is sourced from PubChem (CID 118741830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).