2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine

C11H25N3O — CID 106114835

IUPAC2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
SMILESCOC(CN)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H25N3O/c1-11(2)9-14(6-5-13(11)3)8-10(7-12)15-4/h10H,5-9,12H2,1-4H3
InChIKeyWAKDORVDIUKPCE-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.01
Rot. Bonds4

About 2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine

2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine (PubChem CID 106114835) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
PubChem CID106114835
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine
SMILESCOC(CN)CN1CCN(C)C(C)(C)C1
InChIInChI=1S/C11H25N3O/c1-11(2)9-14(6-5-13(11)3)8-10(7-12)15-4/h10H,5-9,12H2,1-4H3
InChIKeyWAKDORVDIUKPCE-UHFFFAOYSA-N
XLogP-0.01
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

1-amino-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608754
methyl 2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanoate
CID 63634901
4-methyl-1-(3,3,4-trimethylpiperazin-1-yl)pentan-2-amine
CID 63621588
(2R)-1-(3,3,4-trimethylpiperazin-1-yl)butan-2-ol
CID 130572077
2-[2-(3,3,4-trimethylpiperazin-1-yl)ethoxy]ethanamine
CID 79479691
1-(1-methylpyrazol-4-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 113280074
2-(methylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propanamide
CID 63634903
2-methoxy-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 106115086
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methoxypropan-1-amine
CID 106114808
1-(ethylamino)-3-(3,3,4-trimethylpiperazin-1-yl)propan-2-ol
CID 63608756
6-(3,3,4-trimethylpiperazin-1-yl)hexan-2-amine
CID 63608610
1-(4-ethylphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanamine
CID 63610350

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine (CID 106114835) is 2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine is COC(CN)CN1CCN(C)C(C)(C)C1.
What is the InChIKey of 2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine?
The InChIKey is WAKDORVDIUKPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-11(2)9-14(6-5-13(11)3)8-10(7-12)15-4/h10H,5-9,12H2,1-4H3.
What are the key properties of 2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine?
2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine has a molecular weight of 215.34 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3,3,4-trimethylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 106114835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).