(5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol

C18H20N2O2 — CID 125494655

IUPAC(5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol
SMILESCN1CCC([C@]2(O)c3ccccc3Oc3cnccc32)CC1
InChIInChI=1S/C18H20N2O2/c1-20-10-7-13(8-11-20)18(21)14-4-2-3-5-16(14)22-17-12-19-9-6-15(17)18/h2-6,9,12-13,21H,7-8,10-11H2,1H3/t18-/m0/s1
InChIKeyYRWLTXBGSCCHMC-SFHVURJKSA-N
MW296.37 g/mol
LogP2.77
Rot. Bonds1

About (5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol

(5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol (PubChem CID 125494655) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol.

Molecular Properties

Compound Name(5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol
PubChem CID125494655
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol
SMILESCN1CCC([C@]2(O)c3ccccc3Oc3cnccc32)CC1
InChIInChI=1S/C18H20N2O2/c1-20-10-7-13(8-11-20)18(21)14-4-2-3-5-16(14)22-17-12-19-9-6-15(17)18/h2-6,9,12-13,21H,7-8,10-11H2,1H3/t18-/m0/s1
InChIKeyYRWLTXBGSCCHMC-SFHVURJKSA-N
XLogP2.77
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-(1-methylpiperidin-4-yl)xanthen-9-ol
CID 14175791
5-piperidin-4-ylchromeno[2,3-c]pyridin-5-ol
CID 15296906
8-bromo-11-(1-methylpiperidin-4-yl)-5H-[1]benzoxepino[4,3-b]pyridin-11-ol
CID 10452911
9-(1-methylpyrrolidin-3-yl)thioxanthen-9-ol
CID 163672707
11-cyclopropyl-5H-[1]benzoxepino[3,4-b]pyridin-11-ol
CID 42635064
4-hydroxy-4-(1-methylpiperidin-4-yl)benzo[f][1]benzothiol-9-one
CID 15728744
(10R)-10-[3-(dimethylamino)propyl]chromeno[3,2-c]pyridin-10-ol
CID 125480164
4-benzyl-2-(1-methylpiperidin-4-yl)-4,5-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-2-ol
CID 67756184
2,2-difluoro-1-(1-methylpiperidin-4-yl)-3,4-dihydronaphthalen-1-ol
CID 58951018
1-methyl-4-(9H-xanthen-9-yl)piperidine
CID 14175797
11-cyclopropyl-5-methyl-6H-benzo[c][1]benzazepin-11-ol
CID 18917162
5-(methoxymethyl)spiro[5H-1,3-thiazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67437967

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol?
The IUPAC name of (5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol (CID 125494655) is (5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol.
What is the SMILES notation for (5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol?
The canonical SMILES for (5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol is CN1CCC([C@]2(O)c3ccccc3Oc3cnccc32)CC1.
What is the InChIKey of (5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol?
The InChIKey is YRWLTXBGSCCHMC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-20-10-7-13(8-11-20)18(21)14-4-2-3-5-16(14)22-17-12-19-9-6-15(17)18/h2-6,9,12-13,21H,7-8,10-11H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol?
(5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol has a molecular weight of 296.37 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(1-methylpiperidin-4-yl)chromeno[2,3-c]pyridin-5-ol is sourced from PubChem (CID 125494655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).