1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C17H32N2 — CID 163026405

IUPAC1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCC1CC(CC2CCCCN2)C2CCCN(C)C2C1
InChIInChI=1S/C17H32N2/c1-13-10-14(12-15-6-3-4-8-18-15)16-7-5-9-19(2)17(16)11-13/h13-18H,3-12H2,1-2H3
InChIKeyPDUPMKGQCAJLPD-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.28
Rot. Bonds2

About 1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 163026405) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID163026405
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCC1CC(CC2CCCCN2)C2CCCN(C)C2C1
InChIInChI=1S/C17H32N2/c1-13-10-14(12-15-6-3-4-8-18-15)16-7-5-9-19(2)17(16)11-13/h13-18H,3-12H2,1-2H3
InChIKeyPDUPMKGQCAJLPD-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline with MolForge

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Related Compounds

7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 3527750
(4aS,5S,7R,8aR)-7-methyl-5-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 10061372
2-[(3,5-dimethylcyclohexyl)methyl]piperidine
CID 64731136
6-(1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl)-N-methylhexan-1-amine
CID 72679036
6-[(4aS,5R,7S,8aS)-1,7-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl]-N,N-dimethylhexan-1-amine
CID 102450986
4-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010595
5-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010596
4-methyl-1-[[(2S)-piperidin-2-yl]methyl]piperidine
CID 7141723
2-[(2-methylcyclopentyl)methyl]azocane
CID 91042457
2-(1-methylpyrrolidin-2-yl)piperidine
CID 14810995
1-(azepan-2-ylmethyl)-4-methylazepane
CID 64570778
1-[(4aR,5R,7S,8aS)-5-[[(1S,2R,5S,7S,9S,11R,13S,17R)-11,14-dimethyl-6,14-diazatetracyclo[7.6.2.02,7.013,17]heptadecan-5-yl]methyl]-7-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 127048851

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 163026405) is 1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CC1CC(CC2CCCCN2)C2CCCN(C)C2C1.
What is the InChIKey of 1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is PDUPMKGQCAJLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-13-10-14(12-15-6-3-4-8-18-15)16-7-5-9-19(2)17(16)11-13/h13-18H,3-12H2,1-2H3.
What are the key properties of 1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 264.46 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 163026405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).