(3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol

C18H21ClN2O2 — CID 94528472

IUPAC(3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(Cc2cc(Cl)ccc2OCc2cccnc2)C1
InChIInChI=1S/C18H21ClN2O2/c19-16-5-6-18(23-13-14-3-1-7-20-10-14)15(9-16)11-21-8-2-4-17(22)12-21/h1,3,5-7,9-10,17,22H,2,4,8,11-13H2/t17-/m1/s1
InChIKeyQVOORRSUXCCNHU-QGZVFWFLSA-N
MW332.83 g/mol
LogP3.27
Rot. Bonds5

About (3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol

(3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol (PubChem CID 94528472) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is (3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol
PubChem CID94528472
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name(3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol
SMILESO[C@@H]1CCCN(Cc2cc(Cl)ccc2OCc2cccnc2)C1
InChIInChI=1S/C18H21ClN2O2/c19-16-5-6-18(23-13-14-3-1-7-20-10-14)15(9-16)11-21-8-2-4-17(22)12-21/h1,3,5-7,9-10,17,22H,2,4,8,11-13H2/t17-/m1/s1
InChIKeyQVOORRSUXCCNHU-QGZVFWFLSA-N
XLogP3.27
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol 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 (3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol?
The IUPAC name of (3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol (CID 94528472) is (3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol?
The canonical SMILES for (3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol is O[C@@H]1CCCN(Cc2cc(Cl)ccc2OCc2cccnc2)C1.
What is the InChIKey of (3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol?
The InChIKey is QVOORRSUXCCNHU-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-16-5-6-18(23-13-14-3-1-7-20-10-14)15(9-16)11-21-8-2-4-17(22)12-21/h1,3,5-7,9-10,17,22H,2,4,8,11-13H2/t17-/m1/s1.
What are the key properties of (3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol?
(3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol has a molecular weight of 332.83 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[5-chloro-2-(pyridin-3-ylmethoxy)phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 94528472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).