2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol

C13H28N2O — CID 114496429

IUPAC2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
SMILESCNCC1CCN(CC(C)(O)C(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)13(3,16)10-15-7-5-12(6-8-15)9-14-4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyWDXDCTLEEKKLML-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.32
Rot. Bonds5

About 2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol

2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol (PubChem CID 114496429) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
PubChem CID114496429
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
SMILESCNCC1CCN(CC(C)(O)C(C)C)CC1
InChIInChI=1S/C13H28N2O/c1-11(2)13(3,16)10-15-7-5-12(6-8-15)9-14-4/h11-12,14,16H,5-10H2,1-4H3
InChIKeyWDXDCTLEEKKLML-UHFFFAOYSA-N
XLogP1.32
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]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

1-[4-[(tert-butylamino)methyl]piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114496950
2,3-dimethyl-1-[4-(propylaminomethyl)piperidin-1-yl]butan-2-ol
CID 114496943
1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-ol
CID 114448862
1-[4-(ethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114491211
2-methyl-4-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol
CID 79356027
2,3-dimethyl-1-[2-(methylaminomethyl)morpholin-4-yl]butan-2-ol
CID 114496612
1-(2-hydroxy-2,3-dimethylbutyl)pyrrolidin-3-ol
CID 114449091
1-(azocan-1-yl)-2,3-dimethylbutan-2-ol
CID 114447496
1-(4-ethylpiperazin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447436
1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838867
1-[1-(aminomethyl)piperidin-4-yl]-N-methylmethanamine
CID 146320414
1-(3-ethylpiperidin-1-yl)-2,3-dimethylbutan-2-ol
CID 114447622

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol (CID 114496429) is 2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol is CNCC1CCN(CC(C)(O)C(C)C)CC1.
What is the InChIKey of 2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol?
The InChIKey is WDXDCTLEEKKLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)13(3,16)10-15-7-5-12(6-8-15)9-14-4/h11-12,14,16H,5-10H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol?
2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 114496429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).