2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine

C17H20N2O — CID 95846619

IUPAC2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine
SMILESCOc1ccc(-c2cc(C3CCNCC3)ccn2)cc1
InChIInChI=1S/C17H20N2O/c1-20-16-4-2-14(3-5-16)17-12-15(8-11-19-17)13-6-9-18-10-7-13/h2-5,8,11-13,18H,6-7,9-10H2,1H3
InChIKeyHAAKIYSCGSITFA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.22
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine

2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine (PubChem CID 95846619) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine
PubChem CID95846619
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine
SMILESCOc1ccc(-c2cc(C3CCNCC3)ccn2)cc1
InChIInChI=1S/C17H20N2O/c1-20-16-4-2-14(3-5-16)17-12-15(8-11-19-17)13-6-9-18-10-7-13/h2-5,8,11-13,18H,6-7,9-10H2,1H3
InChIKeyHAAKIYSCGSITFA-UHFFFAOYSA-N
XLogP3.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.22
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-4-ylpyridine?
The IUPAC name of 2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine (CID 95846619) is 2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine is COc1ccc(-c2cc(C3CCNCC3)ccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine?
The InChIKey is HAAKIYSCGSITFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-20-16-4-2-14(3-5-16)17-12-15(8-11-19-17)13-6-9-18-10-7-13/h2-5,8,11-13,18H,6-7,9-10H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine?
2-(4-methoxyphenyl)-4-piperidin-4-ylpyridine has a molecular weight of 268.36 g/mol, XLogP of 3.22, 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-4-ylpyridine is sourced from PubChem (CID 95846619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).