3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine

C13H22N2S — CID 66349971

IUPAC3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccsc2)CC1C
InChIInChI=1S/C13H22N2S/c1-3-6-14-13-4-7-15(9-11(13)2)12-5-8-16-10-12/h5,8,10-11,13-14H,3-4,6-7,9H2,1-2H3
InChIKeyCEUPTHJXLLLYJY-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.96
Rot. Bonds4

About 3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine

3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine (PubChem CID 66349971) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is 3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine.

Molecular Properties

Compound Name3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine
PubChem CID66349971
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine
SMILESCCCNC1CCN(c2ccsc2)CC1C
InChIInChI=1S/C13H22N2S/c1-3-6-14-13-4-7-15(9-11(13)2)12-5-8-16-10-12/h5,8,10-11,13-14H,3-4,6-7,9H2,1-2H3
InChIKeyCEUPTHJXLLLYJY-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine?
The IUPAC name of 3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine (CID 66349971) is 3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine.
What is the SMILES notation for 3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine?
The canonical SMILES for 3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine is CCCNC1CCN(c2ccsc2)CC1C.
What is the InChIKey of 3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine?
The InChIKey is CEUPTHJXLLLYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-3-6-14-13-4-7-15(9-11(13)2)12-5-8-16-10-12/h5,8,10-11,13-14H,3-4,6-7,9H2,1-2H3.
What are the key properties of 3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine?
3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine has a molecular weight of 238.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine is sourced from PubChem (CID 66349971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).