4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one

C15H20N2O2 — CID 163599357

IUPAC4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC1CNC(=O)c2ccc(OC3CCNCC3)cc21
InChIInChI=1S/C15H20N2O2/c1-10-9-17-15(18)13-3-2-12(8-14(10)13)19-11-4-6-16-7-5-11/h2-3,8,10-11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyGWGNPFFYSKVUTA-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.66
Rot. Bonds2

About 4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one

4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 163599357) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID163599357
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC1CNC(=O)c2ccc(OC3CCNCC3)cc21
InChIInChI=1S/C15H20N2O2/c1-10-9-17-15(18)13-3-2-12(8-14(10)13)19-11-4-6-16-7-5-11/h2-3,8,10-11,16H,4-7,9H2,1H3,(H,17,18)
InChIKeyGWGNPFFYSKVUTA-UHFFFAOYSA-N
XLogP1.66
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-pyrrolidin-3-yloxyfluoren-9-one
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4-(4-iodophenoxy)piperidine
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8-(4,4-dimethylcyclohexyl)oxy-2,3,3a,4,5,10b-hexahydro-1H-pyrrolo[3,4-d][2]benzazepin-6-one
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2-methyl-6-piperidin-4-yloxychromen-4-one
CID 28815119
4-(4-bromo-3-methylphenoxy)piperidine;hydrochloride
CID 56830759
4-(4-chloro-3-ethylphenoxy)piperidine;hydrochloride
CID 56830986
4-(3,5-dimethylphenoxy)piperidine
CID 20735339
2-cyclopropyl-6-piperidin-4-yloxy-3H-isoindol-1-one
CID 129278486
4-methyl-2,3,4,6,7,8-hexahydrocyclopenta[g]isoquinolin-1-one
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one (CID 163599357) is 4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one is CC1CNC(=O)c2ccc(OC3CCNCC3)cc21.
What is the InChIKey of 4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is GWGNPFFYSKVUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-9-17-15(18)13-3-2-12(8-14(10)13)19-11-4-6-16-7-5-11/h2-3,8,10-11,16H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one?
4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 260.34 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-piperidin-4-yloxy-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 163599357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).