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

C12H20N2S — CID 66352075

IUPAC1-propyl-N-thiophen-3-ylpiperidin-4-amine
SMILESCCCN1CCC(Nc2ccsc2)CC1
InChIInChI=1S/C12H20N2S/c1-2-6-14-7-3-11(4-8-14)13-12-5-9-15-10-12/h5,9-11,13H,2-4,6-8H2,1H3
InChIKeyXOPJZGBPTSXCSA-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.03
Rot. Bonds4

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

1-propyl-N-thiophen-3-ylpiperidin-4-amine (PubChem CID 66352075) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 1-propyl-N-thiophen-3-ylpiperidin-4-amine.

Molecular Properties

Compound Name1-propyl-N-thiophen-3-ylpiperidin-4-amine
PubChem CID66352075
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name1-propyl-N-thiophen-3-ylpiperidin-4-amine
SMILESCCCN1CCC(Nc2ccsc2)CC1
InChIInChI=1S/C12H20N2S/c1-2-6-14-7-3-11(4-8-14)13-12-5-9-15-10-12/h5,9-11,13H,2-4,6-8H2,1H3
InChIKeyXOPJZGBPTSXCSA-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-thiophen-3-ylpiperidin-4-amine?
The IUPAC name of 1-propyl-N-thiophen-3-ylpiperidin-4-amine (CID 66352075) is 1-propyl-N-thiophen-3-ylpiperidin-4-amine.
What is the SMILES notation for 1-propyl-N-thiophen-3-ylpiperidin-4-amine?
The canonical SMILES for 1-propyl-N-thiophen-3-ylpiperidin-4-amine is CCCN1CCC(Nc2ccsc2)CC1.
What is the InChIKey of 1-propyl-N-thiophen-3-ylpiperidin-4-amine?
The InChIKey is XOPJZGBPTSXCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-2-6-14-7-3-11(4-8-14)13-12-5-9-15-10-12/h5,9-11,13H,2-4,6-8H2,1H3.
What are the key properties of 1-propyl-N-thiophen-3-ylpiperidin-4-amine?
1-propyl-N-thiophen-3-ylpiperidin-4-amine has a molecular weight of 224.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-thiophen-3-ylpiperidin-4-amine is sourced from PubChem (CID 66352075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).