4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol

C13H29N3O — CID 64898612

IUPAC4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN1CCN(C)C(C)C1
InChIInChI=1S/C13H29N3O/c1-4-6-14-13(5-9-17)11-16-8-7-15(3)12(2)10-16/h12-14,17H,4-11H2,1-3H3
InChIKeyJITKWXBZVHOVCN-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.37
Rot. Bonds7

About 4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol

4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol (PubChem CID 64898612) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol
PubChem CID64898612
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN1CCN(C)C(C)C1
InChIInChI=1S/C13H29N3O/c1-4-6-14-13(5-9-17)11-16-8-7-15(3)12(2)10-16/h12-14,17H,4-11H2,1-3H3
InChIKeyJITKWXBZVHOVCN-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
CID 64898611
4-(4-propan-2-ylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 103494996
4-(2-methylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64898364
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
1-(4-ethyl-3-methylpiperazin-1-yl)-N-propylbutan-2-amine
CID 55216953
4-(2,4-dimethylpiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64899261
4-(4-ethoxypiperidin-1-yl)-3-(propylamino)butan-1-ol
CID 64899032
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791833
1-(3,4-dimethylpiperazin-1-yl)-N-ethyl-3-methoxypropan-2-amine
CID 107505746
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol (CID 64898612) is 4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol is CCCNC(CCO)CN1CCN(C)C(C)C1.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol?
The InChIKey is JITKWXBZVHOVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-6-14-13(5-9-17)11-16-8-7-15(3)12(2)10-16/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol?
4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol has a molecular weight of 243.39 g/mol, XLogP of 0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64898612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).