2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine

C15H25ClN2S — CID 79426847

IUPAC2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine
SMILESCC(C)(C)C1CCN(C(CN)c2cc(Cl)cs2)CC1
InChIInChI=1S/C15H25ClN2S/c1-15(2,3)11-4-6-18(7-5-11)13(9-17)14-8-12(16)10-19-14/h8,10-11,13H,4-7,9,17H2,1-3H3
InChIKeyUHJKDFCKDZLVRU-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.16
Rot. Bonds3

About 2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine

2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine (PubChem CID 79426847) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine
PubChem CID79426847
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine
SMILESCC(C)(C)C1CCN(C(CN)c2cc(Cl)cs2)CC1
InChIInChI=1S/C15H25ClN2S/c1-15(2,3)11-4-6-18(7-5-11)13(9-17)14-8-12(16)10-19-14/h8,10-11,13H,4-7,9,17H2,1-3H3
InChIKeyUHJKDFCKDZLVRU-UHFFFAOYSA-N
XLogP4.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-tert-butylpyrrolidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine
CID 113417089
2-(4-chlorothiophen-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
CID 79427183
2-(4-chlorothiophen-2-yl)-2-(2,6-dimethylthiomorpholin-4-yl)ethanamine
CID 79426852
2-(4-chlorothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965116
2-(4-tert-butylpiperidin-1-yl)-2-(5-methylthiophen-2-yl)ethanamine
CID 55032386
2-(4-tert-butylpiperidin-1-yl)-2-(4-ethylphenyl)ethanamine
CID 63465065
2-(4-tert-butylpiperidin-1-yl)-2-(4-fluorophenyl)ethanamine
CID 62089855
2-(4-chlorothiophen-2-yl)-2-(3-methylthiomorpholin-4-yl)ethanamine
CID 79426741
2-(4-tert-butylpiperidin-1-yl)-2-(2,3-difluorophenyl)ethanamine
CID 63669113
2-(4-bromothiophen-2-yl)-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanamine
CID 79175202
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 102839070
2-(4-bromothiophen-2-yl)-2-(4-ethylpiperazin-1-yl)ethanamine
CID 43123646

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine (CID 79426847) is 2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine is CC(C)(C)C1CCN(C(CN)c2cc(Cl)cs2)CC1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine?
The InChIKey is UHJKDFCKDZLVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-15(2,3)11-4-6-18(7-5-11)13(9-17)14-8-12(16)10-19-14/h8,10-11,13H,4-7,9,17H2,1-3H3.
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine?
2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine has a molecular weight of 300.90 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-2-(4-chlorothiophen-2-yl)ethanamine is sourced from PubChem (CID 79426847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).