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

C16H28N2OS — CID 83995157

IUPAC1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(C)(C)C)CN(c2ccsc2)C1
InChIInChI=1S/C16H28N2OS/c1-12(19)13-7-14(17-11-16(2,3)4)9-18(8-13)15-5-6-20-10-15/h5-6,10,12-14,17,19H,7-9,11H2,1-4H3
InChIKeyXZGJSQICPWACCO-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.96
Rot. Bonds4

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

1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol (PubChem CID 83995157) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol
PubChem CID83995157
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC(C)(C)C)CN(c2ccsc2)C1
InChIInChI=1S/C16H28N2OS/c1-12(19)13-7-14(17-11-16(2,3)4)9-18(8-13)15-5-6-20-10-15/h5-6,10,12-14,17,19H,7-9,11H2,1-4H3
InChIKeyXZGJSQICPWACCO-UHFFFAOYSA-N
XLogP2.96
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-thiophen-3-ylpiperidin-3-yl]ethanol
CID 83995156
methyl N-[5-(1-hydroxyethyl)-1-thiophen-3-ylpiperidin-3-yl]carbamate
CID 112543285
5-ethyl-N-(2-methylpropyl)-1-thiophen-3-ylpiperidin-3-amine
CID 83994460
1-[5-(2,2-dimethylpropylamino)-1-propylpiperidin-3-yl]ethanol
CID 83994912
1-[3-(2,2-dimethylpropylamino)-5-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 83995067
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
N-(2,2-dimethylpropyl)-5-ethyl-1-phenylpiperidin-3-amine
CID 83995125
N-cyclohexyl-5-methyl-1-thiophen-3-ylpiperidin-3-amine
CID 83999300
N-(2,2-dimethylpropyl)-1-methyl-5-propan-2-ylpiperidin-3-amine
CID 83994824
1-[3-(2,2-dimethylpropylamino)-5-propan-2-ylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83995119

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol?
The IUPAC name of 1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol (CID 83995157) is 1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol.
What is the SMILES notation for 1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol?
The canonical SMILES for 1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol is CC(O)C1CC(NCC(C)(C)C)CN(c2ccsc2)C1.
What is the InChIKey of 1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol?
The InChIKey is XZGJSQICPWACCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-12(19)13-7-14(17-11-16(2,3)4)9-18(8-13)15-5-6-20-10-15/h5-6,10,12-14,17,19H,7-9,11H2,1-4H3.
What are the key properties of 1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol?
1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol has a molecular weight of 296.48 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropylamino)-1-thiophen-3-ylpiperidin-3-yl]ethanol is sourced from PubChem (CID 83995157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).