N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine

C13H22N2S — CID 116951777

IUPACN-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
SMILESCNC(CC1CCCNC1)c1sccc1C
InChIInChI=1S/C13H22N2S/c1-10-5-7-16-13(10)12(14-2)8-11-4-3-6-15-9-11/h5,7,11-12,14-15H,3-4,6,8-9H2,1-2H3
InChIKeyJKCOPJQEMCWCAY-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.71
Rot. Bonds4

About N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine

N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine (PubChem CID 116951777) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
PubChem CID116951777
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
SMILESCNC(CC1CCCNC1)c1sccc1C
InChIInChI=1S/C13H22N2S/c1-10-5-7-16-13(10)12(14-2)8-11-4-3-6-15-9-11/h5,7,11-12,14-15H,3-4,6,8-9H2,1-2H3
InChIKeyJKCOPJQEMCWCAY-UHFFFAOYSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116936426
N-methyl-1-(4-methylphenyl)-2-piperidin-3-ylethanamine
CID 116951716
[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105310138
[2-cyclopentyl-1-(3-methylthiophen-2-yl)ethyl]hydrazine
CID 105299133
1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
CID 116951753
2-cyclobutyl-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine
CID 115863425
2-(1,3-dioxolan-2-yl)-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 103546964
N-[2-cyclobutyl-1-(3-methylthiophen-2-yl)ethyl]propan-1-amine
CID 115863501
N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine
CID 116906601
1-(3-methylthiophen-2-yl)-2-piperidin-4-ylethanamine
CID 116936534
1-cyclopentyl-N-methyl-2-piperidin-3-ylethanamine
CID 116951767
3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine
CID 112715433

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine?
The IUPAC name of N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine (CID 116951777) is N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine.
What is the SMILES notation for N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine?
The canonical SMILES for N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine is CNC(CC1CCCNC1)c1sccc1C.
What is the InChIKey of N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine?
The InChIKey is JKCOPJQEMCWCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10-5-7-16-13(10)12(14-2)8-11-4-3-6-15-9-11/h5,7,11-12,14-15H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine?
N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine has a molecular weight of 238.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine is sourced from PubChem (CID 116951777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).