2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol

C13H28N2O — CID 114496491

IUPAC2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol
SMILESCCC(C)(O)CN1CCCCC1CCNC
InChIInChI=1S/C13H28N2O/c1-4-13(2,16)11-15-10-6-5-7-12(15)8-9-14-3/h12,14,16H,4-11H2,1-3H3
InChIKeyAZLQKVOCOSSYPM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds6

About 2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol

2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol (PubChem CID 114496491) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol
PubChem CID114496491
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol
SMILESCCC(C)(O)CN1CCCCC1CCNC
InChIInChI=1S/C13H28N2O/c1-4-13(2,16)11-15-10-6-5-7-12(15)8-9-14-3/h12,14,16H,4-11H2,1-3H3
InChIKeyAZLQKVOCOSSYPM-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[2-[2-(methylamino)ethyl]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-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 114495321
2-methyl-1-[2-[1-(methylamino)ethyl]piperidin-1-yl]butan-2-ol
CID 114491238
1-[[2-[2-(methylamino)ethyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 65213774
3-[[2-(methylaminomethyl)pyrrolidin-1-yl]methyl]pentan-3-ol
CID 114496641
2-[1-(2-hydroxy-2-methylbutyl)piperidin-2-yl]cyclohexan-1-ol
CID 114497735
1-(2,3-dimethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495572
2-[1-[2-(aminomethyl)-2-methylbutyl]piperidin-2-yl]ethanol
CID 62262685
3-(1-ethylpyrrolidin-2-yl)-N-methylpropan-1-amine
CID 102569972
3-[2-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270202
3-[[2-(ethylaminomethyl)piperidin-1-yl]methyl]pentan-3-ol
CID 114496972
2-methyl-2-[(2-propylpiperidin-1-yl)methyl]butan-1-amine
CID 83055635
N-tert-butyl-2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83061844

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol (CID 114496491) is 2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol is CCC(C)(O)CN1CCCCC1CCNC.
What is the InChIKey of 2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol?
The InChIKey is AZLQKVOCOSSYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-13(2,16)11-15-10-6-5-7-12(15)8-9-14-3/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol?
2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-[2-(methylamino)ethyl]piperidin-1-yl]butan-2-ol is sourced from PubChem (CID 114496491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).