2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C16H30N2 — CID 74343390

IUPAC2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCC1CC2CCCCN2C(CC2CCCCN2)C1
InChIInChI=1S/C16H30N2/c1-13-10-15-7-3-5-9-18(15)16(11-13)12-14-6-2-4-8-17-14/h13-17H,2-12H2,1H3
InChIKeyHXFURELRXGRSMC-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.17
Rot. Bonds2

About 2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 74343390) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID74343390
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESCC1CC2CCCCN2C(CC2CCCCN2)C1
InChIInChI=1S/C16H30N2/c1-13-10-15-7-3-5-9-18(15)16(11-13)12-14-6-2-4-8-17-14/h13-17H,2-12H2,1H3
InChIKeyHXFURELRXGRSMC-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine with MolForge

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Related Compounds

Hippodamine
CID 11217776
1-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methanamine
CID 6358779
Isotripiperidein
CID 558090
6-Methyl-decahydro-1,6-naphthyridine
CID 15106928
Decahydro-1,6-naphthyridine
CID 21911968
(1R,2R,4S,9S,17S)-4-(propan-2-ylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane-6-thione
CID 52944028
(1R,2R,4S,9S,17S)-4-(ethylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane-6-thione
CID 52944796
(1R,2R,4S,9S,17S)-4-(methylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane-6-thione
CID 52946007
(1R,2R,4S,9S,17S)-4-(propylamino)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane-6-thione
CID 52947274
(4aR,8R,8aS)-8-(piperidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 163047261
Precoccinelline
CID 181570
2-Methyl-perhydro-9b-azaphenalene
CID 72755666

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of 2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 74343390) is 2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for 2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for 2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is CC1CC2CCCCN2C(CC2CCCCN2)C1.
What is the InChIKey of 2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is HXFURELRXGRSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-13-10-15-7-3-5-9-18(15)16(11-13)12-14-6-2-4-8-17-14/h13-17H,2-12H2,1H3.
What are the key properties of 2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 250.43 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(piperidin-2-ylmethyl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 74343390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).