1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine

C13H22N2S — CID 83989578

IUPAC1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
SMILESCCN1CC(Cc2ccsc2)CC(NC)C1
InChIInChI=1S/C13H22N2S/c1-3-15-8-12(7-13(9-15)14-2)6-11-4-5-16-10-11/h4-5,10,12-14H,3,6-9H2,1-2H3
InChIKeyZLYBATXQOHGHSX-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.22
Rot. Bonds4

About 1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine

1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine (PubChem CID 83989578) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
PubChem CID83989578
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
SMILESCCN1CC(Cc2ccsc2)CC(NC)C1
InChIInChI=1S/C13H22N2S/c1-3-15-8-12(7-13(9-15)14-2)6-11-4-5-16-10-11/h4-5,10,12-14H,3,6-9H2,1-2H3
InChIKeyZLYBATXQOHGHSX-UHFFFAOYSA-N
XLogP2.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
CID 83997648
5-benzyl-1-ethyl-N-methylpiperidin-3-amine
CID 83989565
N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
CID 83992767
5-benzyl-N-(cyclobutylmethyl)-1-ethylpiperidin-3-amine
CID 83996943
5-butyl-1-ethyl-N-methylpiperidin-3-amine
CID 83989561
N-(5-benzyl-1-ethylpiperidin-3-yl)-2,2-dimethylpropanamide
CID 112542121
N-ethyl-1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 61474587
1-ethyl-N-(1-thiophen-3-ylpropan-2-yl)piperidin-4-amine
CID 54953167
(2S)-1-(2-methyl-3-sulfanylpropanoyl)-4-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 88747234
3-(thiophen-3-ylmethyl)pyrrolidine
CID 83682618
N-ethyl-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64504261
N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
CID 83993485

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine?
The IUPAC name of 1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine (CID 83989578) is 1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine is CCN1CC(Cc2ccsc2)CC(NC)C1.
What is the InChIKey of 1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine?
The InChIKey is ZLYBATXQOHGHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-15-8-12(7-13(9-15)14-2)6-11-4-5-16-10-11/h4-5,10,12-14H,3,6-9H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine?
1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine has a molecular weight of 238.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 83989578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).