(3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol

C16H20N2O2 — CID 56892549

IUPAC(3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol
SMILESOC[C@H]1CCN(Cc2ccc3ccccc3n2)C[C@@H]1O
InChIInChI=1S/C16H20N2O2/c19-11-13-7-8-18(10-16(13)20)9-14-6-5-12-3-1-2-4-15(12)17-14/h1-6,13,16,19-20H,7-11H2/t13-,16+/m1/s1
InChIKeyRCPVAIBVWHKERJ-CJNGLKHVSA-N
MW272.35 g/mol
LogP1.41
Rot. Bonds3

About (3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol

(3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol (PubChem CID 56892549) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol
PubChem CID56892549
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol
SMILESOC[C@H]1CCN(Cc2ccc3ccccc3n2)C[C@@H]1O
InChIInChI=1S/C16H20N2O2/c19-11-13-7-8-18(10-16(13)20)9-14-6-5-12-3-1-2-4-15(12)17-14/h1-6,13,16,19-20H,7-11H2/t13-,16+/m1/s1
InChIKeyRCPVAIBVWHKERJ-CJNGLKHVSA-N
XLogP1.41
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)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,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol (CID 56892549) is (3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol is OC[C@H]1CCN(Cc2ccc3ccccc3n2)C[C@@H]1O.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol?
The InChIKey is RCPVAIBVWHKERJ-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-11-13-7-8-18(10-16(13)20)9-14-6-5-12-3-1-2-4-15(12)17-14/h1-6,13,16,19-20H,7-11H2/t13-,16+/m1/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol?
(3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol has a molecular weight of 272.35 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(hydroxymethyl)-1-(quinolin-2-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 56892549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).