2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride

C16H23ClN2O2 — CID 118742012

IUPAC2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride
SMILESCOCC(=O)N1CCc2ccccc2C12CCNCC2.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-20-12-15(19)18-11-6-13-4-2-3-5-14(13)16(18)7-9-17-10-8-16;/h2-5,17H,6-12H2,1H3;1H
InChIKeyWWXCYNJZRSLSPJ-UHFFFAOYSA-N
MW310.82 g/mol
LogP1.72
Rot. Bonds2

About 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride

2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride (PubChem CID 118742012) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride
PubChem CID118742012
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride
SMILESCOCC(=O)N1CCc2ccccc2C12CCNCC2.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-20-12-15(19)18-11-6-13-4-2-3-5-14(13)16(18)7-9-17-10-8-16;/h2-5,17H,6-12H2,1H3;1H
InChIKeyWWXCYNJZRSLSPJ-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121359978
2,3-dihydroindol-1-yl-(4-methoxypiperidin-4-yl)methanone
CID 119673107
2-hydroxy-1-[1'-(2-phenylethyl)spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]ethanone
CID 121350884
2,3-dihydroindol-1-yl-[(3S)-3-(methoxymethyl)pyrrolidin-3-yl]methanone
CID 129465608
propane;spiro[1,2-dihydroindene-3,4'-piperidine]
CID 91126362
2-methoxy-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylethanone
CID 166286568
1-[(5S)-1,7-diazaspiro[4.4]nonan-1-yl]-2-methoxyethanone
CID 125498225
1-[1'-(2-chlorobenzoyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]-2-methoxyethanone
CID 72849676
1-[5-(2-methoxyacetyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-2-(2-methylphenyl)ethanone
CID 72838994
1,3-dihydroisoindol-2-yl-(4-methoxypiperidin-4-yl)methanone;hydrochloride
CID 119777882
spiro[1,5,6,11a-tetrahydroimidazo[2,1-b][3]benzazepine-11,4'-piperidine]-3-carboxamide;dihydrochloride
CID 68500361
1-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-ylpropan-1-one;dihydrochloride
CID 129009040

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride?
The IUPAC name of 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride (CID 118742012) is 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride?
The canonical SMILES for 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride is COCC(=O)N1CCc2ccccc2C12CCNCC2.Cl.
What is the InChIKey of 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride?
The InChIKey is WWXCYNJZRSLSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-20-12-15(19)18-11-6-13-4-2-3-5-14(13)16(18)7-9-17-10-8-16;/h2-5,17H,6-12H2,1H3;1H.
What are the key properties of 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride?
2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-spiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-ylethanone;hydrochloride is sourced from PubChem (CID 118742012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).