2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine

C14H30N2O — CID 106587363

IUPAC2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine
SMILESCOCC1CCCN(CC(CN)CC(C)C)C1
InChIInChI=1S/C14H30N2O/c1-12(2)7-14(8-15)10-16-6-4-5-13(9-16)11-17-3/h12-14H,4-11,15H2,1-3H3
InChIKeyICSLWXXWFRRXOP-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.97
Rot. Bonds7

About 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine

2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine (PubChem CID 106587363) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine
PubChem CID106587363
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine
SMILESCOCC1CCCN(CC(CN)CC(C)C)C1
InChIInChI=1S/C14H30N2O/c1-12(2)7-14(8-15)10-16-6-4-5-13(9-16)11-17-3/h12-14H,4-11,15H2,1-3H3
InChIKeyICSLWXXWFRRXOP-UHFFFAOYSA-N
XLogP1.97
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methoxymethyl)piperidin-1-yl]methyl]butane-1-thiol
CID 106590065
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]pentane-1-thiol
CID 106590062
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-cyclopentyl-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103274721
1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 104567152
1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine
CID 106588378
(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 100627852
6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324
5-[3-(methoxymethyl)piperidin-1-yl]pentan-2-ol
CID 103274720
2-[3-(methoxymethyl)piperidin-1-yl]-1-(4-methylphenyl)ethanamine
CID 106586509
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine?
The IUPAC name of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine (CID 106587363) is 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine.
What is the SMILES notation for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine?
The canonical SMILES for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine is COCC1CCCN(CC(CN)CC(C)C)C1.
What is the InChIKey of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine?
The InChIKey is ICSLWXXWFRRXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)7-14(8-15)10-16-6-4-5-13(9-16)11-17-3/h12-14H,4-11,15H2,1-3H3.
What are the key properties of 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine?
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 106587363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).