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

C12H18F2N2S — CID 83993076

IUPACN-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine
SMILESCC1CC(NCC(F)F)CN(c2ccsc2)C1
InChIInChI=1S/C12H18F2N2S/c1-9-4-10(15-5-12(13)14)7-16(6-9)11-2-3-17-8-11/h2-3,8-10,12,15H,4-7H2,1H3
InChIKeyCCWCDVRMTBRAEX-UHFFFAOYSA-N
MW260.35 g/mol
LogP2.82
Rot. Bonds4

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

N-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine (PubChem CID 83993076) has the molecular formula C12H18F2N2S and a molecular weight of 260.35 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine
PubChem CID83993076
Molecular FormulaC12H18F2N2S
Molecular Weight260.35 g/mol
Exact Mass260.12
IUPAC NameN-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine
SMILESCC1CC(NCC(F)F)CN(c2ccsc2)C1
InChIInChI=1S/C12H18F2N2S/c1-9-4-10(15-5-12(13)14)7-16(6-9)11-2-3-17-8-11/h2-3,8-10,12,15H,4-7H2,1H3
InChIKeyCCWCDVRMTBRAEX-UHFFFAOYSA-N
XLogP2.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 52.82
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-methyl-1-thiophen-3-ylpiperidin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine (CID 83993076) is N-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine is CC1CC(NCC(F)F)CN(c2ccsc2)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine?
The InChIKey is CCWCDVRMTBRAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2S/c1-9-4-10(15-5-12(13)14)7-16(6-9)11-2-3-17-8-11/h2-3,8-10,12,15H,4-7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine?
N-(2,2-difluoroethyl)-5-methyl-1-thiophen-3-ylpiperidin-3-amine has a molecular weight of 260.35 g/mol, XLogP of 2.82, 4 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-methyl-1-thiophen-3-ylpiperidin-3-amine is sourced from PubChem (CID 83993076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).