(4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone

C21H20N2O2 — CID 46329037

IUPAC(4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone
SMILESO=C(c1nc(-c2ccccc2)c2ccccc2c1O)N1CCCCC1
InChIInChI=1S/C21H20N2O2/c24-20-17-12-6-5-11-16(17)18(15-9-3-1-4-10-15)22-19(20)21(25)23-13-7-2-8-14-23/h1,3-6,9-12,24H,2,7-8,13-14H2
InChIKeyUMLFLCKUTXOXCM-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.23
Rot. Bonds2

About (4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone

(4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone (PubChem CID 46329037) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is (4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone
PubChem CID46329037
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name(4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone
SMILESO=C(c1nc(-c2ccccc2)c2ccccc2c1O)N1CCCCC1
InChIInChI=1S/C21H20N2O2/c24-20-17-12-6-5-11-16(17)18(15-9-3-1-4-10-15)22-19(20)21(25)23-13-7-2-8-14-23/h1,3-6,9-12,24H,2,7-8,13-14H2
InChIKeyUMLFLCKUTXOXCM-UHFFFAOYSA-N
XLogP4.23
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(2-phenylquinazolin-4-yl)methanone
CID 13336375
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
azocan-1-yl-(3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl)methanone
CID 55628775
[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 27816575
1,2-benzothiazol-3-yl(piperidin-1-yl)methanone
CID 6625272
(2-aminoquinolin-4-yl)-(azepan-1-yl)methanone
CID 62154164
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
(2-phenylimidazo[1,2-a]pyridin-3-yl)-pyrrolidin-1-ylmethanone
CID 155383445
(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 112852618
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
(2-hydroxy-3-phenylphenyl)-pyrrolidin-1-ylmethanone
CID 154351103

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone (CID 46329037) is (4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone is O=C(c1nc(-c2ccccc2)c2ccccc2c1O)N1CCCCC1.
What is the InChIKey of (4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone?
The InChIKey is UMLFLCKUTXOXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c24-20-17-12-6-5-11-16(17)18(15-9-3-1-4-10-15)22-19(20)21(25)23-13-7-2-8-14-23/h1,3-6,9-12,24H,2,7-8,13-14H2.
What are the key properties of (4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone?
(4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone has a molecular weight of 332.40 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-1-phenylisoquinolin-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 46329037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).