(3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol

C18H18N4O — CID 95141278

IUPAC(3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol
SMILESO[C@H]1CCCN(c2ccnc(-c3cnc4ccccc4c3)n2)C1
InChIInChI=1S/C18H18N4O/c23-15-5-3-9-22(12-15)17-7-8-19-18(21-17)14-10-13-4-1-2-6-16(13)20-11-14/h1-2,4,6-8,10-11,15,23H,3,5,9,12H2/t15-/m0/s1
InChIKeyOWUMUVDVQKEYDM-HNNXBMFYSA-N
MW306.37 g/mol
LogP2.65
Rot. Bonds2

About (3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol

(3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol (PubChem CID 95141278) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol
PubChem CID95141278
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol
SMILESO[C@H]1CCCN(c2ccnc(-c3cnc4ccccc4c3)n2)C1
InChIInChI=1S/C18H18N4O/c23-15-5-3-9-22(12-15)17-7-8-19-18(21-17)14-10-13-4-1-2-6-16(13)20-11-14/h1-2,4,6-8,10-11,15,23H,3,5,9,12H2/t15-/m0/s1
InChIKeyOWUMUVDVQKEYDM-HNNXBMFYSA-N
XLogP2.65
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol (CID 95141278) is (3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol is O[C@H]1CCCN(c2ccnc(-c3cnc4ccccc4c3)n2)C1.
What is the InChIKey of (3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol?
The InChIKey is OWUMUVDVQKEYDM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O/c23-15-5-3-9-22(12-15)17-7-8-19-18(21-17)14-10-13-4-1-2-6-16(13)20-11-14/h1-2,4,6-8,10-11,15,23H,3,5,9,12H2/t15-/m0/s1.
What are the key properties of (3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol?
(3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol has a molecular weight of 306.37 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-quinolin-3-ylpyrimidin-4-yl)piperidin-3-ol is sourced from PubChem (CID 95141278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).