4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol

C11H25N3O — CID 64789833

IUPAC4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCN1CCN(C)C(C)C1
InChIInChI=1S/C11H25N3O/c1-10-8-14(7-6-13(10)3)5-4-11(9-15)12-2/h10-12,15H,4-9H2,1-3H3
InChIKeyFZTMSWUYTXGBDD-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.41
Rot. Bonds5

About 4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol

4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol (PubChem CID 64789833) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
PubChem CID64789833
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
SMILESCNC(CO)CCN1CCN(C)C(C)C1
InChIInChI=1S/C11H25N3O/c1-10-8-14(7-6-13(10)3)5-4-11(9-15)12-2/h10-12,15H,4-9H2,1-3H3
InChIKeyFZTMSWUYTXGBDD-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

4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791833
4-(4-ethylpiperazin-1-yl)-2-(methylamino)butan-1-ol
CID 64797345
1-(3,4-dimethylpiperazin-1-yl)-N-methylbutan-2-amine
CID 63608575
4-(azocan-1-yl)-2-(methylamino)butan-1-ol
CID 64797115
5-(3,4-dimethylpiperazin-1-yl)pentan-1-ol
CID 63633957
4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 102968904
1-cyclopentyl-2-(3,4-dimethylpiperazin-1-yl)-N-methylethanamine
CID 104746257
4-[3-(diethylamino)pyrrolidin-1-yl]-2-(methylamino)butan-1-ol
CID 64791699
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(methylamino)butan-1-ol
CID 64797716
4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64791015
3-(3-ethyl-4-methylpiperazin-1-yl)-2-(methylamino)propan-1-ol
CID 64790393
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol (CID 64789833) is 4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol is CNC(CO)CCN1CCN(C)C(C)C1.
What is the InChIKey of 4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol?
The InChIKey is FZTMSWUYTXGBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-10-8-14(7-6-13(10)3)5-4-11(9-15)12-2/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol?
4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-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 4-(3,4-dimethylpiperazin-1-yl)-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64789833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).