7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C16H30N2 — CID 3527750

IUPAC7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CC(CC2CCCCN2)C2CCCNC2C1
InChIInChI=1S/C16H30N2/c1-12-9-13(11-14-5-2-3-7-17-14)15-6-4-8-18-16(15)10-12/h12-18H,2-11H2,1H3
InChIKeyHLJWSLBSLJLQBA-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.93
Rot. Bonds2

About 7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 3527750) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID3527750
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCC1CC(CC2CCCCN2)C2CCCNC2C1
InChIInChI=1S/C16H30N2/c1-12-9-13(11-14-5-2-3-7-17-14)15-6-4-8-18-16(15)10-12/h12-18H,2-11H2,1H3
InChIKeyHLJWSLBSLJLQBA-UHFFFAOYSA-N
XLogP2.93
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline with MolForge

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Related Compounds

(4aS,5R,7S,8aS)-7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 163122234
7-methyl-5-[(1-oxidopiperidin-1-ium-2-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 163122228
1,7-dimethyl-5-(piperidin-2-ylmethyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 163026405
(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
4-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010595
2-[(2-methylcyclopentyl)methyl]azocane
CID 91042457
5-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010596
2-(cycloheptylmethyl)piperidine
CID 79006754
(2R)-2-(cyclobutylmethyl)piperidine
CID 99737651
(2S)-2-(cyclohexylmethyl)piperidine
CID 51377530
2-pyrrolidin-2-ylpiperidine
CID 14810994

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 3527750) is 7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is CC1CC(CC2CCCCN2)C2CCCNC2C1.
What is the InChIKey of 7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is HLJWSLBSLJLQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-12-9-13(11-14-5-2-3-7-17-14)15-6-4-8-18-16(15)10-12/h12-18H,2-11H2,1H3.
What are the key properties of 7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 250.43 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(piperidin-2-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 3527750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).