methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate

C13H22F2N2O2 — CID 83993158

IUPACmethyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NCC(F)F)CN(C2CC2)C1
InChIInChI=1S/C13H22F2N2O2/c1-19-13(18)5-9-4-10(16-6-12(14)15)8-17(7-9)11-2-3-11/h9-12,16H,2-8H2,1H3
InChIKeySQVHBLYGEAYDFJ-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.26
Rot. Bonds6

About methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate

methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate (PubChem CID 83993158) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate
PubChem CID83993158
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Namemethyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate
SMILESCOC(=O)CC1CC(NCC(F)F)CN(C2CC2)C1
InChIInChI=1S/C13H22F2N2O2/c1-19-13(18)5-9-4-10(16-6-12(14)15)8-17(7-9)11-2-3-11/h9-12,16H,2-8H2,1H3
InChIKeySQVHBLYGEAYDFJ-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-cyclopentyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetic acid
CID 83993142
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723
1-cyclopropyl-5-(cyclopropylmethyl)-N-(2,2-difluoroethyl)piperidin-3-amine
CID 83993151
methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83993140
methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994184
ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate
CID 83996617
methyl 2-[1-acetyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994370
ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate
CID 83992762
1-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]ethanol
CID 83993163
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
CID 83997306
2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992463

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate (CID 83993158) is methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate is COC(=O)CC1CC(NCC(F)F)CN(C2CC2)C1.
What is the InChIKey of methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate?
The InChIKey is SQVHBLYGEAYDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-19-13(18)5-9-4-10(16-6-12(14)15)8-17(7-9)11-2-3-11/h9-12,16H,2-8H2,1H3.
What are the key properties of methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate?
methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate has a molecular weight of 276.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83993158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).