1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone

C16H22N2O — CID 62690706

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)N1CCCc2ccccc21
InChIInChI=1S/C16H22N2O/c19-16(11-13-5-3-9-17-12-13)18-10-4-7-14-6-1-2-8-15(14)18/h1-2,6,8,13,17H,3-5,7,9-12H2
InChIKeyRHLRPNJIFOJMFG-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.36
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone (PubChem CID 62690706) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
PubChem CID62690706
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)N1CCCc2ccccc21
InChIInChI=1S/C16H22N2O/c19-16(11-13-5-3-9-17-12-13)18-10-4-7-14-6-1-2-8-15(14)18/h1-2,6,8,13,17H,3-5,7,9-12H2
InChIKeyRHLRPNJIFOJMFG-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-3-yl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153568
1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106637154
2-(azetidin-3-ylmethylsulfanyl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 66287794
1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline
CID 86323488
3-cyclohexyl-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 2300886
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide
CID 119312008
1-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-piperidin-3-ylpropan-1-one
CID 83199167
2-cycloheptyl-1-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethanone;hydrochloride
CID 119521215
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 112509738
pyrrolidin-3-yl 3,4-dihydro-2H-quinoline-1-carboxylate
CID 142775986
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
CID 110857116
1-(2-cyclopentylacetyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336606

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone (CID 62690706) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone is O=C(CC1CCCNC1)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone?
The InChIKey is RHLRPNJIFOJMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(11-13-5-3-9-17-12-13)18-10-4-7-14-6-1-2-8-15(14)18/h1-2,6,8,13,17H,3-5,7,9-12H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone has a molecular weight of 258.36 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone is sourced from PubChem (CID 62690706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).