methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate

C12H22F2N2O2 — CID 83992828

IUPACmethyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
SMILESCCCN1CC(NCC(F)F)CC(C(=O)OC)C1
InChIInChI=1S/C12H22F2N2O2/c1-3-4-16-7-9(12(17)18-2)5-10(8-16)15-6-11(13)14/h9-11,15H,3-8H2,1-2H3
InChIKeyYHDZSKHATZIJDF-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.11
Rot. Bonds6

About methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate

methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate (PubChem CID 83992828) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
PubChem CID83992828
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Namemethyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate
SMILESCCCN1CC(NCC(F)F)CC(C(=O)OC)C1
InChIInChI=1S/C12H22F2N2O2/c1-3-4-16-7-9(12(17)18-2)5-10(8-16)15-6-11(13)14/h9-11,15H,3-8H2,1-2H3
InChIKeyYHDZSKHATZIJDF-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2,2-difluoroethylamino)-1-propanoylpiperidine-3-carboxylate
CID 83993008
methyl 5-(3-methylbutylamino)-1-propylpiperidine-3-carboxylate
CID 83995596
methyl 1-acetyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83992984
methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83992834
methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83993140
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994797
methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate
CID 83994391
5-butyl-N-(2,2-difluoroethyl)-1-propylpiperidin-3-amine
CID 83992822
1-(2-acetamidoethyl)-5-(2,2-difluoroethylamino)piperidine-3-carboxylic acid
CID 83993434
methyl 1-(2-hydroxyethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990097
5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
CID 83992756
methyl 1-(2-aminoethyl)-5-(methylamino)piperidine-3-carboxylate
CID 83990119

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate?
The IUPAC name of methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate (CID 83992828) is methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate?
The canonical SMILES for methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate is CCCN1CC(NCC(F)F)CC(C(=O)OC)C1.
What is the InChIKey of methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate?
The InChIKey is YHDZSKHATZIJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-3-4-16-7-9(12(17)18-2)5-10(8-16)15-6-11(13)14/h9-11,15H,3-8H2,1-2H3.
What are the key properties of methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate?
methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,2-difluoroethylamino)-1-propylpiperidine-3-carboxylate is sourced from PubChem (CID 83992828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).