2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

C17H32N2O — CID 66470223

IUPAC2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCOCC1CCN(CC2CCC3CCCCC3N2)CC1
InChIInChI=1S/C17H32N2O/c1-20-13-14-8-10-19(11-9-14)12-16-7-6-15-4-2-3-5-17(15)18-16/h14-18H,2-13H2,1H3
InChIKeyZTFCKGPKHKNKDI-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.66
Rot. Bonds4

About 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline

2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (PubChem CID 66470223) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.

Molecular Properties

Compound Name2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
PubChem CID66470223
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
SMILESCOCC1CCN(CC2CCC3CCCCC3N2)CC1
InChIInChI=1S/C17H32N2O/c1-20-13-14-8-10-19(11-9-14)12-16-7-6-15-4-2-3-5-17(15)18-16/h14-18H,2-13H2,1H3
InChIKeyZTFCKGPKHKNKDI-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline with MolForge

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Related Compounds

2-[(3-ethylpiperidin-1-yl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 66468808
4-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)piperidine
CID 63971924
2-(azocan-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 43211928
2-(piperidin-1-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 43199753
4-(methoxymethyl)-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 121451427
ethane;4-(methoxymethyl)-1-(piperidin-4-ylmethyl)piperidine
CID 144757867
3-(methoxymethyl)-1-(pyrrolidin-2-ylmethyl)pyrrolidine
CID 64598334
4-(methoxymethyl)-1-(oxiran-2-ylmethyl)piperidine
CID 63972885
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine
CID 114396569
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-1-cyclopropylmethanamine
CID 66470617
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-3-methylpiperidine
CID 107069292
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 66469009

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The IUPAC name of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline (CID 66470223) is 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline.
What is the SMILES notation for 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The canonical SMILES for 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is COCC1CCN(CC2CCC3CCCCC3N2)CC1.
What is the InChIKey of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
The InChIKey is ZTFCKGPKHKNKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-20-13-14-8-10-19(11-9-14)12-16-7-6-15-4-2-3-5-17(15)18-16/h14-18H,2-13H2,1H3.
What are the key properties of 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline?
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline has a molecular weight of 280.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline is sourced from PubChem (CID 66470223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).