1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine

C12H27N3O — CID 107505746

IUPAC1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CN1CCN(C)C(C)C1
InChIInChI=1S/C12H27N3O/c1-5-13-12(10-16-4)9-15-7-6-14(3)11(2)8-15/h11-13H,5-10H2,1-4H3
InChIKeyCRQMZHBSZCYGIA-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.25
Rot. Bonds6

About 1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine

1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine (PubChem CID 107505746) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine
PubChem CID107505746
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)CN1CCN(C)C(C)C1
InChIInChI=1S/C12H27N3O/c1-5-13-12(10-16-4)9-15-7-6-14(3)11(2)8-15/h11-13H,5-10H2,1-4H3
InChIKeyCRQMZHBSZCYGIA-UHFFFAOYSA-N
XLogP0.25
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
CID 64898611
N-ethyl-1-(3-ethylpiperidin-1-yl)-3-methoxypropan-2-amine
CID 107505415
methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate
CID 63635767
N-ethyl-1-methoxy-3-(4-methylpiperidin-1-yl)propan-2-amine
CID 107505226
N-ethyl-1-methoxy-3-(3-propan-2-ylpyrrolidin-1-yl)propan-2-amine
CID 107505935
N-ethyl-1-methoxy-3-pyrrolidin-1-ylpropan-2-amine
CID 107505229
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791833
N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine
CID 107505756
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505868
N-ethyl-1-methoxy-3-(2-methylpiperidin-1-yl)propan-2-amine
CID 107505238
4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol
CID 64898612

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine (CID 107505746) is 1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)CN1CCN(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is CRQMZHBSZCYGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-13-12(10-16-4)9-15-7-6-14(3)11(2)8-15/h11-13H,5-10H2,1-4H3.
What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine?
1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 229.37 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 107505746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).