2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol

C16H28N2OS — CID 107227140

IUPAC2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
SMILESCCC(N)C(c1sccc1C)N1CCCC(CCO)C1
InChIInChI=1S/C16H28N2OS/c1-3-14(17)15(16-12(2)7-10-20-16)18-8-4-5-13(11-18)6-9-19/h7,10,13-15,19H,3-6,8-9,11,17H2,1-2H3
InChIKeyJQBLWMWQXVBUBK-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.93
Rot. Bonds6

About 2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol

2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol (PubChem CID 107227140) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is 2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
PubChem CID107227140
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC Name2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol
SMILESCCC(N)C(c1sccc1C)N1CCCC(CCO)C1
InChIInChI=1S/C16H28N2OS/c1-3-14(17)15(16-12(2)7-10-20-16)18-8-4-5-13(11-18)6-9-19/h7,10,13-15,19H,3-6,8-9,11,17H2,1-2H3
InChIKeyJQBLWMWQXVBUBK-UHFFFAOYSA-N
XLogP2.93
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-methylthiophen-2-yl)butan-2-amine
CID 115558987
2-[1-[2-amino-1-(2-bromophenyl)butyl]piperidin-3-yl]ethanol
CID 107227144
2-[1-[2-amino-1-(furan-2-yl)butyl]piperidin-3-yl]ethanol
CID 107227112
1-(3-methylthiophen-2-yl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-2-amine
CID 66391668
1-(3-ethylpyrrolidin-1-yl)-1-(3-methylthiophen-2-yl)propan-2-amine
CID 113416980
2-[1-[2-amino-1-(5-methylfuran-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797027
[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777725
2-[1-[2-amino-1-(5-chlorothiophen-2-yl)butyl]pyrrolidin-3-yl]ethanol
CID 114797123
2-[1-[2-amino-1-(2-chlorophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797030
2-[1-[2-amino-1-(2-bromophenyl)butyl]pyrrolidin-3-yl]ethanol
CID 114797028
2-[[2-amino-1-(3-methylthiophen-2-yl)butyl]-cyclobutylamino]ethanol
CID 102860245
[1-(2-amino-1-thiophen-2-ylpropyl)piperidin-3-yl]methanol
CID 55021860

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol (CID 107227140) is 2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol is CCC(N)C(c1sccc1C)N1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol?
The InChIKey is JQBLWMWQXVBUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-3-14(17)15(16-12(2)7-10-20-16)18-8-4-5-13(11-18)6-9-19/h7,10,13-15,19H,3-6,8-9,11,17H2,1-2H3.
What are the key properties of 2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol?
2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol has a molecular weight of 296.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-1-(3-methylthiophen-2-yl)butyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107227140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).