(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol

C16H20N2O3 — CID 56884115

IUPAC(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol
SMILESOCc1cc2ccccc2nc1N1CC[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C16H20N2O3/c19-9-12-5-6-18(8-15(12)21)16-13(10-20)7-11-3-1-2-4-14(11)17-16/h1-4,7,12,15,19-21H,5-6,8-10H2/t12-,15+/m1/s1
InChIKeyBKTGWYTZJYCQHW-DOMZBBRYSA-N
MW288.35 g/mol
LogP0.91
Rot. Bonds3

About (3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol

(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol (PubChem CID 56884115) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol
PubChem CID56884115
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol
SMILESOCc1cc2ccccc2nc1N1CC[C@H](CO)[C@@H](O)C1
InChIInChI=1S/C16H20N2O3/c19-9-12-5-6-18(8-15(12)21)16-13(10-20)7-11-3-1-2-4-14(11)17-16/h1-4,7,12,15,19-21H,5-6,8-10H2/t12-,15+/m1/s1
InChIKeyBKTGWYTZJYCQHW-DOMZBBRYSA-N
XLogP0.91
TPSA76.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol (CID 56884115) is (3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol is OCc1cc2ccccc2nc1N1CC[C@H](CO)[C@@H](O)C1.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol?
The InChIKey is BKTGWYTZJYCQHW-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H20N2O3/c19-9-12-5-6-18(8-15(12)21)16-13(10-20)7-11-3-1-2-4-14(11)17-16/h1-4,7,12,15,19-21H,5-6,8-10H2/t12-,15+/m1/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol?
(3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol has a molecular weight of 288.35 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(hydroxymethyl)-1-[3-(hydroxymethyl)quinolin-2-yl]piperidin-3-ol is sourced from PubChem (CID 56884115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).