2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol

C12H27N3O — CID 65338096

IUPAC2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol
SMILESCC(NCCN1CCN(C)CC1)C(C)(C)O
InChIInChI=1S/C12H27N3O/c1-11(12(2,3)16)13-5-6-15-9-7-14(4)8-10-15/h11,13,16H,5-10H2,1-4H3
InChIKeyFSOWDXGGYYSDHJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.02
Rot. Bonds5

About 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol

2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol (PubChem CID 65338096) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol
PubChem CID65338096
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol
SMILESCC(NCCN1CCN(C)CC1)C(C)(C)O
InChIInChI=1S/C12H27N3O/c1-11(12(2,3)16)13-5-6-15-9-7-14(4)8-10-15/h11,13,16H,5-10H2,1-4H3
InChIKeyFSOWDXGGYYSDHJ-UHFFFAOYSA-N
XLogP-0.02
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-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

N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine;molecular hydrogen
CID 171627808
4-methoxy-4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
CID 54861123
(2S)-3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butan-1-ol
CID 82889379
4-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pentan-2-amine
CID 60923926
3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide
CID 106344756
2-methyl-3-[(1-methylpyrrolidin-3-yl)methylamino]butan-2-ol
CID 65337885
ethane;2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 178091821
N-ethyl-3,3-dimethyl-4-(4-methylpiperazin-1-yl)butan-2-amine
CID 66453823
(2R)-2-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 78972093
2-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]propanoic acid
CID 82892104
N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]pentan-3-amine
CID 62573209
2-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]acetic acid
CID 82891647

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol?
The IUPAC name of 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol (CID 65338096) is 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol?
The canonical SMILES for 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol is CC(NCCN1CCN(C)CC1)C(C)(C)O.
What is the InChIKey of 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol?
The InChIKey is FSOWDXGGYYSDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-11(12(2,3)16)13-5-6-15-9-7-14(4)8-10-15/h11,13,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol?
2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol has a molecular weight of 229.37 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(4-methylpiperazin-1-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 65338096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).