1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone

C16H22N2O — CID 115104826

IUPAC1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCNC2)N1CCCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-8-2-1-3-9-18)11-13-4-5-15-12-17-7-6-14(15)10-13/h4-5,10,17H,1-3,6-9,11-12H2
InChIKeyGLPTUYNSGYOTMF-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.89
Rot. Bonds2

About 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone

1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone (PubChem CID 115104826) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
PubChem CID115104826
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCNC2)N1CCCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-8-2-1-3-9-18)11-13-4-5-15-12-17-7-6-14(15)10-13/h4-5,10,17H,1-3,6-9,11-12H2
InChIKeyGLPTUYNSGYOTMF-UHFFFAOYSA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone
CID 115104675
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
3-(2,3-dihydro-1H-isoindol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 115104716
2-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1-(2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 146530446
2-(2-benzyl-3,4-dihydro-1H-isoquinolin-6-yl)-1-piperidin-1-ylethanone
CID 69094911
N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 115104820
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801525
1-(4-methylsulfonylpiperazin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 51252178
1-[2-piperidin-1-yl-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
CID 58428966
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone (CID 115104826) is 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone is O=C(Cc1ccc2c(c1)CCNC2)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone?
The InChIKey is GLPTUYNSGYOTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(18-8-2-1-3-9-18)11-13-4-5-15-12-17-7-6-14(15)10-13/h4-5,10,17H,1-3,6-9,11-12H2.
What are the key properties of 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone?
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone is sourced from PubChem (CID 115104826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).