5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

C14H21F3N2S — CID 83992384

IUPAC5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCCC1CC(NCC(F)(F)F)CN(c2ccsc2)C1
InChIInChI=1S/C14H21F3N2S/c1-2-3-11-6-12(18-10-14(15,16)17)8-19(7-11)13-4-5-20-9-13/h4-5,9,11-12,18H,2-3,6-8,10H2,1H3
InChIKeyVZDQURAHPPUYIR-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.89
Rot. Bonds5

About 5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine

5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (PubChem CID 83992384) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is 5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.

Molecular Properties

Compound Name5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
PubChem CID83992384
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC Name5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
SMILESCCCC1CC(NCC(F)(F)F)CN(c2ccsc2)C1
InChIInChI=1S/C14H21F3N2S/c1-2-3-11-6-12(18-10-14(15,16)17)8-19(7-11)13-4-5-20-9-13/h4-5,9,11-12,18H,2-3,6-8,10H2,1H3
InChIKeyVZDQURAHPPUYIR-UHFFFAOYSA-N
XLogP3.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The IUPAC name of 5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine (CID 83992384) is 5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine.
What is the SMILES notation for 5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The canonical SMILES for 5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is CCCC1CC(NCC(F)(F)F)CN(c2ccsc2)C1.
What is the InChIKey of 5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
The InChIKey is VZDQURAHPPUYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-2-3-11-6-12(18-10-14(15,16)17)8-19(7-11)13-4-5-20-9-13/h4-5,9,11-12,18H,2-3,6-8,10H2,1H3.
What are the key properties of 5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine?
5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine has a molecular weight of 306.40 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1-thiophen-3-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine is sourced from PubChem (CID 83992384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).