1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone

C16H22N2O2 — CID 63876701

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone
SMILESO=C(COC1CCNCC1)N1CCc2ccccc2C1
InChIInChI=1S/C16H22N2O2/c19-16(12-20-15-5-8-17-9-6-15)18-10-7-13-3-1-2-4-14(13)11-18/h1-4,15,17H,5-12H2
InChIKeyDXDLRHJUYASKDN-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.34
Rot. Bonds3

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone (PubChem CID 63876701) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone
PubChem CID63876701
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone
SMILESO=C(COC1CCNCC1)N1CCc2ccccc2C1
InChIInChI=1S/C16H22N2O2/c19-16(12-20-15-5-8-17-9-6-15)18-10-7-13-3-1-2-4-14(13)11-18/h1-4,15,17H,5-12H2
InChIKeyDXDLRHJUYASKDN-UHFFFAOYSA-N
XLogP1.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-piperidin-4-yloxyethanone
CID 63877593
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpiperidin-4-yl)oxyethanone;fluorobenzene
CID 155741816
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102788385
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
2-piperidin-4-ylsulfanyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 114627520
[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] benzoate
CID 2365522
1-(2-methyl-2,3-dihydroindol-1-yl)-2-piperidin-4-yloxyethanone
CID 63876527
2-(cyclopropylmethylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 71940480
dicyclohexyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]azanium
CID 2105503
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone;methyl pyrrolidine-2-carboxylate
CID 143587055
pyrrolidin-3-yl N-methyl-3,4-dihydro-1H-isoquinoline-2-carboximidate
CID 156731727

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone (CID 63876701) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone is O=C(COC1CCNCC1)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone?
The InChIKey is DXDLRHJUYASKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(12-20-15-5-8-17-9-6-15)18-10-7-13-3-1-2-4-14(13)11-18/h1-4,15,17H,5-12H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone has a molecular weight of 274.36 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 63876701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).