1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine

C15H25ClN2S — CID 79396947

IUPAC1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(C(C)c2ccc(Cl)s2)C(C)C1C
InChIInChI=1S/C15H25ClN2S/c1-5-17-13-8-9-18(11(3)10(13)2)12(4)14-6-7-15(16)19-14/h6-7,10-13,17H,5,8-9H2,1-4H3
InChIKeyQBWRYKMYFGRKNH-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.17
Rot. Bonds4

About 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine

1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine (PubChem CID 79396947) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
PubChem CID79396947
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine
SMILESCCNC1CCN(C(C)c2ccc(Cl)s2)C(C)C1C
InChIInChI=1S/C15H25ClN2S/c1-5-17-13-8-9-18(11(3)10(13)2)12(4)14-6-7-15(16)19-14/h6-7,10-13,17H,5,8-9H2,1-4H3
InChIKeyQBWRYKMYFGRKNH-UHFFFAOYSA-N
XLogP4.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylpiperidin-4-amine
CID 54954672
N-ethyl-2,3-dimethyl-1-[1-(1,3-thiazol-2-yl)ethyl]piperidin-4-amine
CID 79407315
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one
CID 54973377
N-ethyl-2,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 79407166
N-ethyl-1-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylpiperidin-4-amine
CID 79397893
methyl 1-[1-(5-chlorothiophen-2-yl)ethyl]azetidine-2-carboxylate
CID 112581265
N-ethyl-2,3-dimethyl-1-(1-methylsulfonylpropan-2-yl)piperidin-4-amine
CID 79406765
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364025
2,3-dimethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]-N-propylpiperidin-4-amine
CID 79413585
N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177424
N-[[1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513257
1-[1-(5-chlorothiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056478

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine (CID 79396947) is 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine is CCNC1CCN(C(C)c2ccc(Cl)s2)C(C)C1C.
What is the InChIKey of 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine?
The InChIKey is QBWRYKMYFGRKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-5-17-13-8-9-18(11(3)10(13)2)12(4)14-6-7-15(16)19-14/h6-7,10-13,17H,5,8-9H2,1-4H3.
What are the key properties of 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine?
1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine has a molecular weight of 300.90 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethyl-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 79396947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).