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

C13H20F2N2S — CID 83992767

IUPACN-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
SMILESCN1CC(Cc2ccsc2)CC(NCC(F)F)C1
InChIInChI=1S/C13H20F2N2S/c1-17-7-11(4-10-2-3-18-9-10)5-12(8-17)16-6-13(14)15/h2-3,9,11-13,16H,4-8H2,1H3
InChIKeyLZUQCWVCUXKBJB-UHFFFAOYSA-N
MW274.38 g/mol
LogP2.47
Rot. Bonds5

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

N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine (PubChem CID 83992767) has the molecular formula C13H20F2N2S and a molecular weight of 274.38 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
PubChem CID83992767
Molecular FormulaC13H20F2N2S
Molecular Weight274.38 g/mol
Exact Mass274.13
IUPAC NameN-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
SMILESCN1CC(Cc2ccsc2)CC(NCC(F)F)C1
InChIInChI=1S/C13H20F2N2S/c1-17-7-11(4-10-2-3-18-9-10)5-12(8-17)16-6-13(14)15/h2-3,9,11-13,16H,4-8H2,1H3
InChIKeyLZUQCWVCUXKBJB-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
CID 83989578
N-(cyclopentylmethyl)-1-ethyl-5-(thiophen-3-ylmethyl)piperidin-3-amine
CID 83997648
2-[3-benzyl-5-(2,2-difluoroethylamino)piperidin-1-yl]acetonitrile
CID 83993345
ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate
CID 83992762
5-[(3-fluorophenyl)methyl]-1-methyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995522
5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
CID 83992756
N-(cyclohexylmethyl)-5-[(4-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 83998287
5-ethyl-N-(2-methylpropyl)-1-thiophen-3-ylpiperidin-3-amine
CID 83994460
N-(2,2-difluoroethyl)-1-thiophen-3-ylpiperidin-3-amine
CID 83993075
N-ethyl-1-(2-thiophen-3-ylethyl)piperidin-4-amine
CID 61474587
N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine
CID 115406076
1-(1,4-dimethylpiperazin-2-yl)-2-thiophen-3-ylethanol
CID 79659396

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine?
The IUPAC name of N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine (CID 83992767) is N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine is CN1CC(Cc2ccsc2)CC(NCC(F)F)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine?
The InChIKey is LZUQCWVCUXKBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2S/c1-17-7-11(4-10-2-3-18-9-10)5-12(8-17)16-6-13(14)15/h2-3,9,11-13,16H,4-8H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine?
N-(2,2-difluoroethyl)-1-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine has a molecular weight of 274.38 g/mol, XLogP of 2.47, 5 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-methyl-5-(thiophen-3-ylmethyl)piperidin-3-amine is sourced from PubChem (CID 83992767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).