(3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

C15H17ClN2O2 — CID 56889287

IUPAC(3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@H]1CCN(c2ccc3cccc(Cl)c3n2)C[C@H]1O
InChIInChI=1S/C15H17ClN2O2/c16-12-3-1-2-10-4-5-14(17-15(10)12)18-7-6-11(9-19)13(20)8-18/h1-5,11,13,19-20H,6-9H2/t11-,13-/m1/s1
InChIKeyLGTGKEQDENEDDZ-DGCLKSJQSA-N
MW292.77 g/mol
LogP2.07
Rot. Bonds2

About (3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol

(3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 56889287) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
PubChem CID56889287
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@H]1CCN(c2ccc3cccc(Cl)c3n2)C[C@H]1O
InChIInChI=1S/C15H17ClN2O2/c16-12-3-1-2-10-4-5-14(17-15(10)12)18-7-6-11(9-19)13(20)8-18/h1-5,11,13,19-20H,6-9H2/t11-,13-/m1/s1
InChIKeyLGTGKEQDENEDDZ-DGCLKSJQSA-N
XLogP2.07
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol (CID 56889287) is (3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is OC[C@H]1CCN(c2ccc3cccc(Cl)c3n2)C[C@H]1O.
What is the InChIKey of (3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is LGTGKEQDENEDDZ-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-12-3-1-2-10-4-5-14(17-15(10)12)18-7-6-11(9-19)13(20)8-18/h1-5,11,13,19-20H,6-9H2/t11-,13-/m1/s1.
What are the key properties of (3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol?
(3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol has a molecular weight of 292.77 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(8-chloroquinolin-2-yl)-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 56889287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).