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

C16H30N2 — CID 139319226

IUPAC1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCN1CCCC(CN2CCCC3CCCCC32)C1
InChIInChI=1S/C16H30N2/c1-17-10-4-6-14(12-17)13-18-11-5-8-15-7-2-3-9-16(15)18/h14-16H,2-13H2,1H3
InChIKeyMVZGFGMXFVUFEV-UHFFFAOYSA-N
MW250.43 g/mol
LogP2.98
Rot. Bonds2

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

1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 139319226) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID139319226
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCN1CCCC(CN2CCCC3CCCCC32)C1
InChIInChI=1S/C16H30N2/c1-17-10-4-6-14(12-17)13-18-11-5-8-15-7-2-3-9-16(15)18/h14-16H,2-13H2,1H3
InChIKeyMVZGFGMXFVUFEV-UHFFFAOYSA-N
XLogP2.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline with MolForge

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)cyclohexan-1-amine
CID 63044908
3-[(2-cyclopentylpyrrolidin-1-yl)methyl]cyclohexan-1-amine
CID 63046297
1-methyl-3-(pyrrolidin-1-ylmethyl)piperidine
CID 19028453
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]butan-2-amine
CID 102725969
3-(azepan-1-ylmethyl)-1-methylazocane
CID 129168492
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]cycloheptan-1-one
CID 102728227
1-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]piperidin-4-amine
CID 79328437
(1S)-3-methyl-3-azabicyclo[5.5.0]dodecane
CID 118321451
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623035
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]hexan-3-amine
CID 102726915
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)cycloheptan-1-ol
CID 65324416
2-cyclopentyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 102819466

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 139319226) is 1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CN1CCCC(CN2CCCC3CCCCC32)C1.
What is the InChIKey of 1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is MVZGFGMXFVUFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-17-10-4-6-14(12-17)13-18-11-5-8-15-7-2-3-9-16(15)18/h14-16H,2-13H2,1H3.
What are the key properties of 1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 250.43 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-3-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 139319226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).