1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine

C13H24F2N2 — CID 83993235

IUPAC1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
SMILESCC1CC(NCC(F)F)CN(C(C)C2CC2)C1
InChIInChI=1S/C13H24F2N2/c1-9-5-12(16-6-13(14)15)8-17(7-9)10(2)11-3-4-11/h9-13,16H,3-8H2,1-2H3
InChIKeyJPMCXXRDQHWENI-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.35
Rot. Bonds5

About 1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine

1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine (PubChem CID 83993235) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
PubChem CID83993235
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
SMILESCC1CC(NCC(F)F)CN(C(C)C2CC2)C1
InChIInChI=1S/C13H24F2N2/c1-9-5-12(16-6-13(14)15)8-17(7-9)10(2)11-3-4-11/h9-13,16H,3-8H2,1-2H3
InChIKeyJPMCXXRDQHWENI-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclobutylethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993263
1-(1-cyclobutylethyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995335
1-cyclohexyl-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine
CID 83993171
trans-(1S,3S)-N-(2,2-difluoroethyl)-3-methylcyclopentan-1-amine
CID 162591470
2-[3-(2,2-difluoroethylamino)-5-methylpiperidin-1-yl]ethanol
CID 83993383
N-(2,2-difluoroethyl)-1,5-dimethylpyrrolidin-3-amine
CID 115406076
5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992203
N-(2,2-difluoroethyl)-1-(4-fluorophenyl)-5-methylpiperidin-3-amine
CID 83993084
1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993221
1-[1-(1-cyclopropylethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992553
1-(1-cyclobutylpropyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993258
1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993163

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine?
The IUPAC name of 1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine (CID 83993235) is 1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine?
The canonical SMILES for 1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine is CC1CC(NCC(F)F)CN(C(C)C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine?
The InChIKey is JPMCXXRDQHWENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-9-5-12(16-6-13(14)15)8-17(7-9)10(2)11-3-4-11/h9-13,16H,3-8H2,1-2H3.
What are the key properties of 1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine?
1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine has a molecular weight of 246.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-N-(2,2-difluoroethyl)-5-methylpiperidin-3-amine is sourced from PubChem (CID 83993235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).