4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine

C13H28N2O3 — CID 102964864

IUPAC4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
SMILESCOC(CC(CN)N1CCC(C)C(OC)C1)OC
InChIInChI=1S/C13H28N2O3/c1-10-5-6-15(9-12(10)16-2)11(8-14)7-13(17-3)18-4/h10-13H,5-9,14H2,1-4H3
InChIKeyDEPBHNAZRKHLHS-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.68
Rot. Bonds7

About 4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine

4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine (PubChem CID 102964864) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound Name4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
PubChem CID102964864
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
SMILESCOC(CC(CN)N1CCC(C)C(OC)C1)OC
InChIInChI=1S/C13H28N2O3/c1-10-5-6-15(9-12(10)16-2)11(8-14)7-13(17-3)18-4/h10-13H,5-9,14H2,1-4H3
InChIKeyDEPBHNAZRKHLHS-UHFFFAOYSA-N
XLogP0.68
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethoxy-2-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 66270520
4-amino-3-(3-methoxy-4-methylpiperidin-1-yl)-1-piperidin-1-ylbutan-1-one
CID 102965004
3-amino-2-(3-methoxy-4-methylpiperidin-1-yl)propanoic acid
CID 102964894
2-(3-ethylpiperidin-1-yl)-4,4-dimethoxybutan-1-amine
CID 66270128
2-(2,6-dimethylthiomorpholin-4-yl)-4,4-dimethoxybutan-1-amine
CID 66269197
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4,4-dimethoxybutan-1-amine
CID 66269950
3-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)-N-methylpropan-1-amine
CID 103227407
2-(3-methoxy-4-methylpiperidin-1-yl)-2-(5-methyloxolan-2-yl)ethanamine
CID 102965010
2-[4-(difluoromethyl)phenyl]-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964868
2-(3-methoxy-4-methylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 102967967
1-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylpentan-2-ol
CID 102968987
3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 102967905

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine?
The IUPAC name of 4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine (CID 102964864) is 4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for 4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for 4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine is COC(CC(CN)N1CCC(C)C(OC)C1)OC.
What is the InChIKey of 4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine?
The InChIKey is DEPBHNAZRKHLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-10-5-6-15(9-12(10)16-2)11(8-14)7-13(17-3)18-4/h10-13H,5-9,14H2,1-4H3.
What are the key properties of 4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine?
4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethoxy-2-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 102964864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).