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

C16H22N2O — CID 82089589

IUPAC1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
SMILESO=C(CC1NCCc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-10-4-1-5-11-18)12-15-14-7-3-2-6-13(14)8-9-17-15/h2-3,6-7,15,17H,1,4-5,8-12H2
InChIKeyVOSGQRNNWLAZON-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.28
Rot. Bonds2

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

1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone (PubChem CID 82089589) 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-1-yl)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
PubChem CID82089589
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
SMILESO=C(CC1NCCc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H22N2O/c19-16(18-10-4-1-5-11-18)12-15-14-7-3-2-6-13(14)8-9-17-15/h2-3,6-7,15,17H,1,4-5,8-12H2
InChIKeyVOSGQRNNWLAZON-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-isoindol-1-yl)-1-pyrrolidin-1-ylethanone
CID 115104686
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 112509738
1-(2,3-dihydroindol-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 112509706
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
1-[3-hydroxy-4-(1,2,3,4-tetrahydroisoquinolin-1-yl)butanoyl]piperidine-4-carboxylic acid
CID 68867795
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
N-butan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 82086263
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
N-(2-chlorophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetamide
CID 5100540
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethanone
CID 26394370
(3R)-1-(1,2,3,4-tetrahydroisoquinoline-1-carbonyl)piperidine-3-carboxylic acid
CID 81127897
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone (CID 82089589) is 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone is O=C(CC1NCCc2ccccc21)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
The InChIKey is VOSGQRNNWLAZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(18-10-4-1-5-11-18)12-15-14-7-3-2-6-13(14)8-9-17-15/h2-3,6-7,15,17H,1,4-5,8-12H2.
What are the key properties of 1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone?
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone has a molecular weight of 258.36 g/mol, XLogP of 2.28, 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-1-yl)ethanone is sourced from PubChem (CID 82089589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).