1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol

C17H36N2O — CID 81115613

IUPAC1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol
SMILESCCC(CC)(CNC(C)(C)C)CN1CCC(C)(O)CC1
InChIInChI=1S/C17H36N2O/c1-7-17(8-2,13-18-15(3,4)5)14-19-11-9-16(6,20)10-12-19/h18,20H,7-14H2,1-6H3
InChIKeyBBYAHZYFNUCNLE-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds6

About 1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol

1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol (PubChem CID 81115613) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol
PubChem CID81115613
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol
SMILESCCC(CC)(CNC(C)(C)C)CN1CCC(C)(O)CC1
InChIInChI=1S/C17H36N2O/c1-7-17(8-2,13-18-15(3,4)5)14-19-11-9-16(6,20)10-12-19/h18,20H,7-14H2,1-6H3
InChIKeyBBYAHZYFNUCNLE-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-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-tert-butyl-2-ethyl-2-(thiomorpholin-4-ylmethyl)butan-1-amine
CID 62263810
1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-4-methylazepan-4-ol
CID 107408778
1-[2-[(tert-butylamino)methyl]-2-methylpentyl]-3-methylpyrrolidin-3-ol
CID 103358630
1-[2-ethyl-2-(hydroxymethyl)butyl]-3-methylpyrrolidin-3-ol
CID 103358649
N-tert-butyl-2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-amine
CID 63483212
1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol
CID 107408780
[1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]piperidin-3-yl]methanol
CID 62278559
1-[2-(ethylaminomethyl)-2-methylpentyl]-4-methylpiperidin-4-ol
CID 81116201
N-tert-butyl-2-ethyl-2-[(3,4,5-trimethylpiperazin-1-yl)methyl]butan-1-amine
CID 114539716
1-(3-amino-2,2-dimethylpropyl)-4-methylpiperidin-4-ol
CID 81115275
2-[(4,4-dimethylpiperidin-1-yl)methyl]-2-ethylbutan-1-ol
CID 62930460
3-(4-hydroxy-4-methylpiperidin-1-yl)-2,2-dimethylpropanoic acid
CID 81097234

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol (CID 81115613) is 1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol is CCC(CC)(CNC(C)(C)C)CN1CCC(C)(O)CC1.
What is the InChIKey of 1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol?
The InChIKey is BBYAHZYFNUCNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-7-17(8-2,13-18-15(3,4)5)14-19-11-9-16(6,20)10-12-19/h18,20H,7-14H2,1-6H3.
What are the key properties of 1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol?
1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(tert-butylamino)methyl]-2-ethylbutyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81115613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).