N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine

C14H22F2N2S — CID 83993078

IUPACN-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine
SMILESCCCC1CC(NCC(F)F)CN(c2ccsc2)C1
InChIInChI=1S/C14H22F2N2S/c1-2-3-11-6-12(17-7-14(15)16)9-18(8-11)13-4-5-19-10-13/h4-5,10-12,14,17H,2-3,6-9H2,1H3
InChIKeyQQJGGEYNFONEQC-UHFFFAOYSA-N
MW288.41 g/mol
LogP3.60
Rot. Bonds6

About N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine

N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine (PubChem CID 83993078) has the molecular formula C14H22F2N2S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine
PubChem CID83993078
Molecular FormulaC14H22F2N2S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine
SMILESCCCC1CC(NCC(F)F)CN(c2ccsc2)C1
InChIInChI=1S/C14H22F2N2S/c1-2-3-11-6-12(17-7-14(15)16)9-18(8-11)13-4-5-19-10-13/h4-5,10-12,14,17H,2-3,6-9H2,1H3
InChIKeyQQJGGEYNFONEQC-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine (CID 83993078) is N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine is CCCC1CC(NCC(F)F)CN(c2ccsc2)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine?
The InChIKey is QQJGGEYNFONEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2S/c1-2-3-11-6-12(17-7-14(15)16)9-18(8-11)13-4-5-19-10-13/h4-5,10-12,14,17H,2-3,6-9H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine?
N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine has a molecular weight of 288.41 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-propyl-1-thiophen-3-ylpiperidin-3-amine is sourced from PubChem (CID 83993078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).