(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol

C15H17ClN2O2 — CID 56904897

IUPAC(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C[C@@H]1O
InChIInChI=1S/C15H17ClN2O2/c16-11-1-2-12-13(7-11)17-5-3-14(12)18-6-4-10(9-19)15(20)8-18/h1-3,5,7,10,15,19-20H,4,6,8-9H2/t10-,15+/m1/s1
InChIKeyXKSQRNLBNKEPOW-BMIGLBTASA-N
MW292.77 g/mol
LogP2.07
Rot. Bonds2

About (3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol

(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol (PubChem CID 56904897) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is (3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
PubChem CID56904897
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name(3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol
SMILESOC[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C[C@@H]1O
InChIInChI=1S/C15H17ClN2O2/c16-11-1-2-12-13(7-11)17-5-3-14(12)18-6-4-10(9-19)15(20)8-18/h1-3,5,7,10,15,19-20H,4,6,8-9H2/t10-,15+/m1/s1
InChIKeyXKSQRNLBNKEPOW-BMIGLBTASA-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 (3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol (CID 56904897) is (3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol is OC[C@H]1CCN(c2ccnc3cc(Cl)ccc23)C[C@@H]1O.
What is the InChIKey of (3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol?
The InChIKey is XKSQRNLBNKEPOW-BMIGLBTASA-N. The full InChI is InChI=1S/C15H17ClN2O2/c16-11-1-2-12-13(7-11)17-5-3-14(12)18-6-4-10(9-19)15(20)8-18/h1-3,5,7,10,15,19-20H,4,6,8-9H2/t10-,15+/m1/s1.
What are the key properties of (3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol?
(3R,4R)-1-(7-chloroquinolin-4-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 (3R,4R)-1-(7-chloroquinolin-4-yl)-4-(hydroxymethyl)piperidin-3-ol is sourced from PubChem (CID 56904897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).