2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol

C16H28N2OS — CID 83995156

IUPAC2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol
SMILESCC(C)(C)CNC1CC(CCO)CN(c2ccsc2)C1
InChIInChI=1S/C16H28N2OS/c1-16(2,3)12-17-14-8-13(4-6-19)9-18(10-14)15-5-7-20-11-15/h5,7,11,13-14,17,19H,4,6,8-10,12H2,1-3H3
InChIKeyOADDMXUNBJCUBP-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.96
Rot. Bonds5

About 2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol

2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol (PubChem CID 83995156) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol
PubChem CID83995156
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol
SMILESCC(C)(C)CNC1CC(CCO)CN(c2ccsc2)C1
InChIInChI=1S/C16H28N2OS/c1-16(2,3)12-17-14-8-13(4-6-19)9-18(10-14)15-5-7-20-11-15/h5,7,11,13-14,17,19H,4,6,8-10,12H2,1-3H3
InChIKeyOADDMXUNBJCUBP-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,2-dimethylpropylamino)-1-phenylpiperidin-3-yl]ethanol
CID 83995129
1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol
CID 83995157
5-ethyl-N-(2-methylpropyl)-1-thiophen-3-ylpiperidin-3-amine
CID 83994460
2-[5-(ethylamino)-1-phenylpiperidin-3-yl]ethanol
CID 83990423
N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine
CID 83995125
2-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 83995449
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340
N-(2,2-dimethylpropyl)-5-ethyl-1-(3-fluorophenyl)piperidin-3-amine
CID 83995163
1-[3-(2,2-dimethylpropylamino)-5-(2-hydroxyethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 83995107
tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate
CID 112544558
N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)acetamide
CID 112541870
1-(4-chlorophenyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995167

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol (CID 83995156) is 2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol is CC(C)(C)CNC1CC(CCO)CN(c2ccsc2)C1.
What is the InChIKey of 2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol?
The InChIKey is OADDMXUNBJCUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-16(2,3)12-17-14-8-13(4-6-19)9-18(10-14)15-5-7-20-11-15/h5,7,11,13-14,17,19H,4,6,8-10,12H2,1-3H3.
What are the key properties of 2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol?
2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol has a molecular weight of 296.48 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol is sourced from PubChem (CID 83995156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).