1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C15H28N2 — CID 113296904

IUPAC1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCC1CNCC(N2CCCC3CCCCC32)C1
InChIInChI=1S/C15H28N2/c1-12-9-14(11-16-10-12)17-8-4-6-13-5-2-3-7-15(13)17/h12-16H,2-11H2,1H3
InChIKeyNSIQFPHUWMEDBX-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.64
Rot. Bonds1

About 1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 113296904) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID113296904
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCC1CNCC(N2CCCC3CCCCC32)C1
InChIInChI=1S/C15H28N2/c1-12-9-14(11-16-10-12)17-8-4-6-13-5-2-3-7-15(13)17/h12-16H,2-11H2,1H3
InChIKeyNSIQFPHUWMEDBX-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-3-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750917
2-methyl-1-(5-methylpiperidin-3-yl)azepane
CID 115373516
1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65322343
5-(2-cyclopentylpyrrolidin-1-yl)-2-methylpiperidine
CID 63155886
(1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride
CID 130992359
3-[1-(4-methylcyclohexyl)pyrrolidin-2-yl]piperidine
CID 66272572
2-(5-methylpiperidin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115560129
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
CID 57050908
1-piperidin-4-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750918
(4aS,8aR)-1-(1-methylpiperidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100898605
4-(1-cyclopentylpyrrolidin-2-yl)piperidine
CID 66274294
1-(1,5-dimethylpyrrolidin-3-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102677981

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 113296904) is 1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CC1CNCC(N2CCCC3CCCCC32)C1.
What is the InChIKey of 1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is NSIQFPHUWMEDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-12-9-14(11-16-10-12)17-8-4-6-13-5-2-3-7-15(13)17/h12-16H,2-11H2,1H3.
What are the key properties of 1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 236.40 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 113296904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).