2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

C11H25N3O — CID 106114460

IUPAC2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCOC(CN)CN(C)C1CCN(C)CC1
InChIInChI=1S/C11H25N3O/c1-13-6-4-10(5-7-13)14(2)9-11(8-12)15-3/h10-11H,4-9,12H2,1-3H3
InChIKeyDYEIYJKPXRQRQS-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.01
Rot. Bonds5

About 2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 106114460) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
PubChem CID106114460
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCOC(CN)CN(C)C1CCN(C)CC1
InChIInChI=1S/C11H25N3O/c1-13-6-4-10(5-7-13)14(2)9-11(8-12)15-3/h10-11H,4-9,12H2,1-3H3
InChIKeyDYEIYJKPXRQRQS-UHFFFAOYSA-N
XLogP-0.01
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-N-methyl-1-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 7138359
N'-cyclopropyl-2-ethoxy-N'-methylpropane-1,3-diamine
CID 63070989
(2R,3S)-1-N,3-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 28598739
1-cyclohexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 104744436
N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)butane-1,4-diamine
CID 115202508
4-amino-3-methoxy-N-(1-methylpiperidin-4-yl)butanamide
CID 103154332
4,4-dimethoxy-2-N,2-dimethyl-2-N-(1-methylpiperidin-4-yl)butane-1,2-diamine
CID 66178631
ethyl 3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoate
CID 82776528
2-ethoxy-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63276105
2-methoxy-N'-methyl-N'-propylpropane-1,3-diamine
CID 106114512
(1R)-N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylethane-1,2-diamine
CID 30113844
3-methoxy-1-N-methyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylpropane-1,2-diamine
CID 107505276

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of 2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (CID 106114460) is 2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for 2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for 2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is COC(CN)CN(C)C1CCN(C)CC1.
What is the InChIKey of 2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is DYEIYJKPXRQRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-13-6-4-10(5-7-13)14(2)9-11(8-12)15-3/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 215.34 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 106114460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).