1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol

C17H36N2O — CID 83994848

IUPAC1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol
SMILESCN1CC(CC(O)C(C)(C)C)CC(NCC(C)(C)C)C1
InChIInChI=1S/C17H36N2O/c1-16(2,3)12-18-14-8-13(10-19(7)11-14)9-15(20)17(4,5)6/h13-15,18,20H,8-12H2,1-7H3
InChIKeySLIZHAISQBAFBO-UHFFFAOYSA-N
MW284.49 g/mol
LogP2.74
Rot. Bonds4

About 1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol

1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol (PubChem CID 83994848) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol
PubChem CID83994848
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol
SMILESCN1CC(CC(O)C(C)(C)C)CC(NCC(C)(C)C)C1
InChIInChI=1S/C17H36N2O/c1-16(2,3)12-18-14-8-13(10-19(7)11-14)9-15(20)17(4,5)6/h13-15,18,20H,8-12H2,1-7H3
InChIKeySLIZHAISQBAFBO-UHFFFAOYSA-N
XLogP2.74
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-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

methyl N-[5-(2-hydroxy-3,3-dimethylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112543000
3-methyl-1-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]butan-2-ol
CID 83992078
5-(2,2-dimethylpropyl)-1-methyl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992057
N-(2,2-dimethylpropyl)-1-methyl-5-propan-2-ylpiperidin-3-amine
CID 83994824
2-[1-(2-aminoethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]-1-cyclopropylethanol
CID 83995501
3-methyl-1-[1-methyl-5-(propylamino)piperidin-3-yl]butan-2-ol
CID 83990804
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]-3-methylbutan-2-ol
CID 83997613
1-[1-cyclobutyl-5-(2,2-dimethylpropylamino)piperidin-3-yl]butan-2-ol
CID 83995270
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]butan-2-ol
CID 83997612
3-[1-methyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992073
1-cyclopropyl-2-[1-methyl-5-(methylamino)piperidin-3-yl]ethanol
CID 83989545
tert-butyl N-[5-(2-hydroxy-3-methylbutyl)-1-methylpiperidin-3-yl]carbamate
CID 112544280

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol?
The IUPAC name of 1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol (CID 83994848) is 1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol?
The canonical SMILES for 1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol is CN1CC(CC(O)C(C)(C)C)CC(NCC(C)(C)C)C1.
What is the InChIKey of 1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol?
The InChIKey is SLIZHAISQBAFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-16(2,3)12-18-14-8-13(10-19(7)11-14)9-15(20)17(4,5)6/h13-15,18,20H,8-12H2,1-7H3.
What are the key properties of 1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol?
1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol has a molecular weight of 284.49 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropylamino)-1-methylpiperidin-3-yl]-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 83994848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).