3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol

C11H25N3O — CID 64790393

IUPAC3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
SMILESCCC1CN(CC(CO)NC)CCN1C
InChIInChI=1S/C11H25N3O/c1-4-11-8-14(6-5-13(11)3)7-10(9-15)12-2/h10-12,15H,4-9H2,1-3H3
InChIKeySSCRONVBUZDBAP-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.41
Rot. Bonds5

About 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol

3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol (PubChem CID 64790393) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
PubChem CID64790393
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
SMILESCCC1CN(CC(CO)NC)CCN1C
InChIInChI=1S/C11H25N3O/c1-4-11-8-14(6-5-13(11)3)7-10(9-15)12-2/h10-12,15H,4-9H2,1-3H3
InChIKeySSCRONVBUZDBAP-UHFFFAOYSA-N
XLogP-0.41
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-2-(3-ethyl-4-methylpiperazin-1-yl)-N-methylethanamine
CID 104746281
(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 103934660
5-(3-ethyl-4-methylpiperazin-1-yl)-N-methylpentan-2-amine
CID 63611231
2-(methylamino)-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 64797801
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64789833
4-(2-ethylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 64797863
3-(4-cyclopropylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64827046
ethyl 4-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)butanoate
CID 55216982
2-(methylamino)-3-(4-propan-2-ylpiperazin-1-yl)propan-1-ol
CID 64797303
4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64797345
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(propylamino)propanoate
CID 63633851

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol?
The IUPAC name of 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol (CID 64790393) is 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol is CCC1CN(CC(CO)NC)CCN1C.
What is the InChIKey of 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol?
The InChIKey is SSCRONVBUZDBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-11-8-14(6-5-13(11)3)7-10(9-15)12-2/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol?
3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64790393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).