4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol

C13H28N2O — CID 79354793

IUPAC4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol
SMILESCCNCC1CCCN(CCC(C)(C)O)C1
InChIInChI=1S/C13H28N2O/c1-4-14-10-12-6-5-8-15(11-12)9-7-13(2,3)16/h12,14,16H,4-11H2,1-3H3
InChIKeySVPLSXYNMYIWHV-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.47
Rot. Bonds6

About 4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol

4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol (PubChem CID 79354793) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol
PubChem CID79354793
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol
SMILESCCNCC1CCCN(CCC(C)(C)O)C1
InChIInChI=1S/C13H28N2O/c1-4-14-10-12-6-5-8-15(11-12)9-7-13(2,3)16/h12,14,16H,4-11H2,1-3H3
InChIKeySVPLSXYNMYIWHV-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-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

4-[3-[(cyclopropylamino)methyl]piperidin-1-yl]-2-methylbutan-2-ol
CID 79354897
N-[[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]methyl]ethanamine
CID 112589860
N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62581148
N-[[1-(2-morpholin-4-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 62581307
5-[3-(ethylaminomethyl)piperidin-1-yl]pentan-1-ol
CID 63848813
N-[[1-(3,3,3-trifluoropropyl)pyrrolidin-3-yl]methyl]ethanamine
CID 63227216
3-[1-(3-hydroxy-3-methylbutyl)piperidin-3-yl]propanoic acid
CID 79356125
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-methylacetamide
CID 63849498
2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 65252040
N-[[1-(2-phenylethyl)piperidin-3-yl]methyl]ethanamine
CID 54794486
N-[[1-[2-(oxolan-2-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 65160987
N-[[1-(2-bromoprop-2-enyl)piperidin-3-yl]methyl]ethanamine
CID 63847588

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol (CID 79354793) is 4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol is CCNCC1CCCN(CCC(C)(C)O)C1.
What is the InChIKey of 4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol?
The InChIKey is SVPLSXYNMYIWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-14-10-12-6-5-8-15(11-12)9-7-13(2,3)16/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol?
4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylaminomethyl)piperidin-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 79354793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).