3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol

C21H23N3O — CID 95476736

IUPAC3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol
SMILESOc1cc(CC[C@H]2CCCCN2)cc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C21H23N3O/c25-18-12-15(8-9-17-5-3-4-10-22-17)11-16(13-18)21-14-23-19-6-1-2-7-20(19)24-21/h1-2,6-7,11-14,17,22,25H,3-5,8-10H2/t17-/m1/s1
InChIKeyVQPGATAXBIXRMZ-QGZVFWFLSA-N
MW333.44 g/mol
LogP4.08
Rot. Bonds4

About 3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol

3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol (PubChem CID 95476736) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol.

Molecular Properties

Compound Name3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol
PubChem CID95476736
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol
SMILESOc1cc(CC[C@H]2CCCCN2)cc(-c2cnc3ccccc3n2)c1
InChIInChI=1S/C21H23N3O/c25-18-12-15(8-9-17-5-3-4-10-22-17)11-16(13-18)21-14-23-19-6-1-2-7-20(19)24-21/h1-2,6-7,11-14,17,22,25H,3-5,8-10H2/t17-/m1/s1
InChIKeyVQPGATAXBIXRMZ-QGZVFWFLSA-N
XLogP4.08
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-Aminoquinolin-6-ol
CID 244284
8-((3-(Dimethylamino)-1-methylpropyl)amino)-6-quinolinol
CID 101745
3-[5-(3-Hydroxyphenyl)pyrazin-2-yl]phenol
CID 25093399
2-[(Quinolin-8-ylamino)methyl]phenol
CID 890662
4-Quinoxalin-2-ylphenol
CID 787366
3-Methyl-4-quinoxalin-2-ylphenol
CID 659650
4-[5-(Piperidin-3-ylamino)isoquinolin-7-yl]phenol
CID 156018227
4-Methyl-2-[(quinolin-8-ylamino)methyl]phenol
CID 929817
4-Methyl-2-[(quinolin-3-ylamino)methyl]phenol
CID 951116
3-[[[5-(4-Hydroxyphenyl)pyridin-3-yl]amino]methyl]phenol
CID 11197100
3-[(7R,8R,9aR)-7,8-dimethyl-2-(quinolin-4-ylmethyl)-3,4,6,7,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-8-yl]phenol
CID 16094382
3-(4-ethylpiperazin-1-yl)-N-(3-hydroxybenzyl)-7-(trifluoromethyl)quinolin-5-amine
CID 50997099

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol?
The IUPAC name of 3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol (CID 95476736) is 3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol.
What is the SMILES notation for 3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol?
The canonical SMILES for 3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol is Oc1cc(CC[C@H]2CCCCN2)cc(-c2cnc3ccccc3n2)c1.
What is the InChIKey of 3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol?
The InChIKey is VQPGATAXBIXRMZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O/c25-18-12-15(8-9-17-5-3-4-10-22-17)11-16(13-18)21-14-23-19-6-1-2-7-20(19)24-21/h1-2,6-7,11-14,17,22,25H,3-5,8-10H2/t17-/m1/s1.
What are the key properties of 3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol?
3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol has a molecular weight of 333.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-piperidin-2-yl]ethyl]-5-quinoxalin-2-ylphenol is sourced from PubChem (CID 95476736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).