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

C11H16F2N2S — CID 83993075

IUPACN-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine
SMILESFC(F)CNC1CCCN(c2ccsc2)C1
InChIInChI=1S/C11H16F2N2S/c12-11(13)6-14-9-2-1-4-15(7-9)10-3-5-16-8-10/h3,5,8-9,11,14H,1-2,4,6-7H2
InChIKeyLAAFWCJURHBNGJ-UHFFFAOYSA-N
MW246.33 g/mol
LogP2.57
Rot. Bonds4

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

N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine (PubChem CID 83993075) has the molecular formula C11H16F2N2S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine
PubChem CID83993075
Molecular FormulaC11H16F2N2S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine
SMILESFC(F)CNC1CCCN(c2ccsc2)C1
InChIInChI=1S/C11H16F2N2S/c12-11(13)6-14-9-2-1-4-15(7-9)10-3-5-16-8-10/h3,5,8-9,11,14H,1-2,4,6-7H2
InChIKeyLAAFWCJURHBNGJ-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83993100
N-benzyl-1-thiophen-3-ylpiperidin-3-amine
CID 83993766
N-cyclohexyl-1-thiophen-3-ylpiperidin-3-amine
CID 83999299
5-ethyl-N-(2-methylpropyl)-1-thiophen-3-ylpiperidin-3-amine
CID 83994460
2-thiophen-3-yl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79932456
1-thiophen-3-ylpyrrolidin-3-amine
CID 65099888
N-cyclohexyl-5-methyl-1-thiophen-3-ylpiperidin-3-amine
CID 83999300
N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
CID 83992767
3-methyl-N-propyl-1-thiophen-3-ylpiperidin-4-amine
CID 66349971
N-(cyclopropylmethyl)-1-(4-methylphenyl)piperidin-3-amine
CID 83996558
N-(cyclohexylmethyl)-1-phenylpiperidin-3-amine
CID 83998581
(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine
CID 69494477

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine (CID 83993075) is N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine is FC(F)CNC1CCCN(c2ccsc2)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine?
The InChIKey is LAAFWCJURHBNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2S/c12-11(13)6-14-9-2-1-4-15(7-9)10-3-5-16-8-10/h3,5,8-9,11,14H,1-2,4,6-7H2.
What are the key properties of N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine?
N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine has a molecular weight of 246.33 g/mol, XLogP of 2.57, 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)-1-thiophen-3-ylpiperidin-3-amine is sourced from PubChem (CID 83993075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).