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

C16H22N2O2 — CID 107067794

IUPAC(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone
SMILESCC1CCCNC1C(=O)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C16H22N2O2/c1-11-3-2-7-17-15(11)16(20)18-8-6-12-4-5-14(19)9-13(12)10-18/h4-5,9,11,15,17,19H,2-3,6-8,10H2,1H3
InChIKeyHYMBBHNFCFRUHP-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.66
Rot. Bonds1

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

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone (PubChem CID 107067794) 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-2-yl)methanone.

Molecular Properties

Compound Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone
PubChem CID107067794
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone
SMILESCC1CCCNC1C(=O)N1CCc2ccc(O)cc2C1
InChIInChI=1S/C16H22N2O2/c1-11-3-2-7-17-15(11)16(20)18-8-6-12-4-5-14(19)9-13(12)10-18/h4-5,9,11,15,17,19H,2-3,6-8,10H2,1H3
InChIKeyHYMBBHNFCFRUHP-UHFFFAOYSA-N
XLogP1.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-[(2S)-piperidin-2-yl]methanone
CID 93375324
cyclopentyl-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 47180816
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(2-methyloxolan-3-yl)methanone
CID 79759445
2-(7-hydroxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
CID 54876371
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 79159479
2,3-dihydroindol-1-yl-(3-methylpiperidin-2-yl)methanone
CID 62340975
4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione
CID 66061811
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-piperidin-1-ylmethanone
CID 78945026
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylbutan-1-one
CID 119733383
(3-amino-2-bicyclo[2.2.1]heptanyl)-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 119733362
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-4-ylpropan-1-one
CID 62211445
1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)hexa-2,4-dien-1-one
CID 61327150

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone?
The IUPAC name of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone (CID 107067794) is (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone.
What is the SMILES notation for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone?
The canonical SMILES for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone is CC1CCCNC1C(=O)N1CCc2ccc(O)cc2C1.
What is the InChIKey of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone?
The InChIKey is HYMBBHNFCFRUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11-3-2-7-17-15(11)16(20)18-8-6-12-4-5-14(19)9-13(12)10-18/h4-5,9,11,15,17,19H,2-3,6-8,10H2,1H3.
What are the key properties of (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone?
(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(3-methylpiperidin-2-yl)methanone is sourced from PubChem (CID 107067794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).