[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

C20H26N2O2 — CID 53193333

IUPAC[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCCOc1cccc(CN2CCC(C(O)c3ccccn3)CC2)c1
InChIInChI=1S/C20H26N2O2/c1-2-24-18-7-5-6-16(14-18)15-22-12-9-17(10-13-22)20(23)19-8-3-4-11-21-19/h3-8,11,14,17,20,23H,2,9-10,12-13,15H2,1H3
InChIKeyWLWRKNUEKLCSQY-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.43
Rot. Bonds6

About [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol

[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 53193333) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID53193333
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCCOc1cccc(CN2CCC(C(O)c3ccccn3)CC2)c1
InChIInChI=1S/C20H26N2O2/c1-2-24-18-7-5-6-16(14-18)15-22-12-9-17(10-13-22)20(23)19-8-3-4-11-21-19/h3-8,11,14,17,20,23H,2,9-10,12-13,15H2,1H3
InChIKeyWLWRKNUEKLCSQY-UHFFFAOYSA-N
XLogP3.43
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol (CID 53193333) is [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is CCOc1cccc(CN2CCC(C(O)c3ccccn3)CC2)c1.
What is the InChIKey of [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is WLWRKNUEKLCSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-24-18-7-5-6-16(14-18)15-22-12-9-17(10-13-22)20(23)19-8-3-4-11-21-19/h3-8,11,14,17,20,23H,2,9-10,12-13,15H2,1H3.
What are the key properties of [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol?
[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 326.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 53193333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).