ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate

C12H22F2N2O2 — CID 83992762

IUPACethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate
SMILESCCOC(=O)CC1CC(NCC(F)F)CN(C)C1
InChIInChI=1S/C12H22F2N2O2/c1-3-18-12(17)5-9-4-10(8-16(2)7-9)15-6-11(13)14/h9-11,15H,3-8H2,1-2H3
InChIKeyHOVIWLQFICUKSO-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.11
Rot. Bonds6

About ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate

ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate (PubChem CID 83992762) has the molecular formula C12H22F2N2O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate
PubChem CID83992762
Molecular FormulaC12H22F2N2O2
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Nameethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate
SMILESCCOC(=O)CC1CC(NCC(F)F)CN(C)C1
InChIInChI=1S/C12H22F2N2O2/c1-3-18-12(17)5-9-4-10(8-16(2)7-9)15-6-11(13)14/h9-11,15H,3-8H2,1-2H3
InChIKeyHOVIWLQFICUKSO-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

ethyl 2-[3-(2,2-difluoroethylamino)-5-ethylpiperidin-1-yl]acetate
CID 83993332
ethyl 3-(2,2-difluoroethylamino)-5-ethylpiperidine-1-carboxylate
CID 83992937
5-(2,2-difluoroethylamino)-1-methylpiperidine-3-carboxylic acid
CID 83992756
methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate
CID 83993158
ethyl 3-[1-methyl-5-(methylamino)piperidin-3-yl]propanoate
CID 83989535
ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544906
ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate
CID 83996913
ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate
CID 83991501
ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate
CID 83996617
methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83992834
ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
CID 83998366
2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
CID 83996220

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate?
The IUPAC name of ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate (CID 83992762) is ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate is CCOC(=O)CC1CC(NCC(F)F)CN(C)C1.
What is the InChIKey of ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate?
The InChIKey is HOVIWLQFICUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O2/c1-3-18-12(17)5-9-4-10(8-16(2)7-9)15-6-11(13)14/h9-11,15H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate?
ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate 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 ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate is sourced from PubChem (CID 83992762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).