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

C12H27N3O — CID 64898611

IUPAC4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
SMILESCCNC(CCO)CN1CCN(C)C(C)C1
InChIInChI=1S/C12H27N3O/c1-4-13-12(5-8-16)10-15-7-6-14(3)11(2)9-15/h11-13,16H,4-10H2,1-3H3
InChIKeyRBBZZAFFDRODSD-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.02
Rot. Bonds6

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

4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol (PubChem CID 64898611) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
PubChem CID64898611
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol
SMILESCCNC(CCO)CN1CCN(C)C(C)C1
InChIInChI=1S/C12H27N3O/c1-4-13-12(5-8-16)10-15-7-6-14(3)11(2)9-15/h11-13,16H,4-10H2,1-3H3
InChIKeyRBBZZAFFDRODSD-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,4-dimethylpiperazin-1-yl)-3-(propylamino)butan-1-ol
CID 64898612
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
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
methyl 3-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)propanoate
CID 63635767
3-(ethylamino)-4-(2-methyl-1,4-oxazepan-4-yl)butan-1-ol
CID 64897757
4-(3-tert-butylpyrrolidin-1-yl)-3-(ethylamino)butan-1-ol
CID 113417223
4-[4-(dimethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-ol
CID 64900324
1-(3,4-dimethylpiperazin-1-yl)butan-2-ol
CID 63633779
(2S)-1-(3,4-dimethylpiperazin-1-yl)propan-2-amine
CID 103934656
4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64789833
3-(ethylamino)-4-(1,4-oxazepan-4-yl)butan-1-ol
CID 64897760

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol (CID 64898611) is 4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol is CCNC(CCO)CN1CCN(C)C(C)C1.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol?
The InChIKey is RBBZZAFFDRODSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-13-12(5-8-16)10-15-7-6-14(3)11(2)9-15/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol?
4-(3,4-dimethylpiperazin-1-yl)-3-(ethylamino)butan-1-ol has a molecular weight of 229.37 g/mol, XLogP of -0.02, 6 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-(ethylamino)butan-1-ol is sourced from PubChem (CID 64898611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).