(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone

C16H22N2O2 — CID 79159479

IUPAC(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCc3ccc(O)cc3C2)C1
InChIInChI=1S/C16H22N2O2/c1-12-3-2-7-17(10-12)16(20)18-8-6-13-4-5-15(19)9-14(13)11-18/h4-5,9,12,19H,2-3,6-8,10-11H2,1H3
InChIKeyPLZKPDXCFHFBJL-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.60
Rot. Bonds

About (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 79159479) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID79159479
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CCc3ccc(O)cc3C2)C1
InChIInChI=1S/C16H22N2O2/c1-12-3-2-7-17(10-12)16(20)18-8-6-13-4-5-15(19)9-14(13)11-18/h4-5,9,12,19H,2-3,6-8,10-11H2,1H3
InChIKeyPLZKPDXCFHFBJL-UHFFFAOYSA-N
XLogP2.60
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone (CID 79159479) is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)N2CCc3ccc(O)cc3C2)C1.
What is the InChIKey of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is PLZKPDXCFHFBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12-3-2-7-17(10-12)16(20)18-8-6-13-4-5-15(19)9-14(13)11-18/h4-5,9,12,19H,2-3,6-8,10-11H2,1H3.
What are the key properties of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone?
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 79159479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).