4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol

C15H34N4O — CID 64788204

IUPAC4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H34N4O/c1-4-6-16-15(14-20)5-7-18-10-12-19(13-11-18)9-8-17(2)3/h15-16,20H,4-14H2,1-3H3
InChIKeyNJMPLGSMFNMYTK-UHFFFAOYSA-N
MW286.46 g/mol
LogP-0.08
Rot. Bonds10

About 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol (PubChem CID 64788204) has the molecular formula C15H34N4O and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol
PubChem CID64788204
Molecular FormulaC15H34N4O
Molecular Weight286.46 g/mol
Exact Mass286.27
IUPAC Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol
SMILESCCCNC(CO)CCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C15H34N4O/c1-4-6-16-15(14-20)5-7-18-10-12-19(13-11-18)9-8-17(2)3/h15-16,20H,4-14H2,1-3H3
InChIKeyNJMPLGSMFNMYTK-UHFFFAOYSA-N
XLogP-0.08
TPSA41.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(azocan-1-yl)-2-(propylamino)butan-1-ol
CID 64798605
2-(propylamino)-4-(3,3,4-trimethylpiperazin-1-yl)butan-1-ol
CID 64791406
4-[methyl(2-pyrrolidin-1-ylethyl)amino]-3-(propylamino)butan-1-ol
CID 64897970
2-(ethylamino)-4-(4-methylpiperazin-1-yl)butan-1-ol
CID 64797363
N,N-dimethyl-2-[4-(3-methylbutyl)piperazin-1-yl]ethanamine
CID 164595282
4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol
CID 64796209
2-(propylamino)-3-pyrrolidin-1-ylpropan-1-ol
CID 64796269
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylbutan-2-amine
CID 55127755
4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64797345
4-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propylamino)butan-1-ol
CID 64787609
2-(ethylamino)-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-1-ol
CID 64791268
3-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 55127990

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol?
The IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol (CID 64788204) is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol is CCCNC(CO)CCN1CCN(CCN(C)C)CC1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol?
The InChIKey is NJMPLGSMFNMYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4O/c1-4-6-16-15(14-20)5-7-18-10-12-19(13-11-18)9-8-17(2)3/h15-16,20H,4-14H2,1-3H3.
What are the key properties of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol?
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol has a molecular weight of 286.46 g/mol, XLogP of -0.08, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-(propylamino)butan-1-ol is sourced from PubChem (CID 64788204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).