5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine

C13H28N2O — CID 106587473

IUPAC5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
SMILESCOCC1CCCN(CCCC(C)(C)N)C1
InChIInChI=1S/C13H28N2O/c1-13(2,14)7-5-9-15-8-4-6-12(10-15)11-16-3/h12H,4-11,14H2,1-3H3
InChIKeyKPGAPICKODESBS-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds6

About 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine

5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine (PubChem CID 106587473) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine.

Molecular Properties

Compound Name5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
PubChem CID106587473
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
SMILESCOCC1CCCN(CCCC(C)(C)N)C1
InChIInChI=1S/C13H28N2O/c1-13(2,14)7-5-9-15-8-4-6-12(10-15)11-16-3/h12H,4-11,14H2,1-3H3
InChIKeyKPGAPICKODESBS-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 106587405
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360
5-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethylpentan-1-amine
CID 65254280
4-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylbutanethioamide
CID 106586975
2-(cyclopropylamino)-5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentanenitrile
CID 106588537
6-[3-(methoxymethyl)piperidin-1-yl]hexane-1-thiol
CID 106590054
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanamide
CID 106588668
2-ethyl-5-[3-(methoxymethyl)piperidin-1-yl]-2-(methylamino)pentan-1-ol
CID 106809961
5-[3-(methoxymethyl)piperidin-1-yl]pentan-2-ol
CID 103274720
5-[3-(methoxymethyl)piperidin-1-yl]-2-methyl-2-(propylamino)pentanoic acid
CID 106588666
2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile
CID 106588532
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide
CID 106587066

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine?
The IUPAC name of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine (CID 106587473) is 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine.
What is the SMILES notation for 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine?
The canonical SMILES for 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine is COCC1CCCN(CCCC(C)(C)N)C1.
What is the InChIKey of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine?
The InChIKey is KPGAPICKODESBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-13(2,14)7-5-9-15-8-4-6-12(10-15)11-16-3/h12H,4-11,14H2,1-3H3.
What are the key properties of 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine?
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine is sourced from PubChem (CID 106587473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).