methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate

C14H26F2N2O2 — CID 83992927

IUPACmethyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(CC(C)(C)C)CC(NCC(F)F)C1
InChIInChI=1S/C14H26F2N2O2/c1-14(2,3)6-10-5-11(17-7-12(15)16)9-18(8-10)13(19)20-4/h10-12,17H,5-9H2,1-4H3
InChIKeyKTTZECSUBLQETR-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.73
Rot. Bonds4

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

methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate (PubChem CID 83992927) has the molecular formula C14H26F2N2O2 and a molecular weight of 292.37 g/mol. Its IUPAC name is methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
PubChem CID83992927
Molecular FormulaC14H26F2N2O2
Molecular Weight292.37 g/mol
Exact Mass292.20
IUPAC Namemethyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(CC(C)(C)C)CC(NCC(F)F)C1
InChIInChI=1S/C14H26F2N2O2/c1-14(2,3)6-10-5-11(17-7-12(15)16)9-18(8-10)13(19)20-4/h10-12,17H,5-9H2,1-4H3
InChIKeyKTTZECSUBLQETR-UHFFFAOYSA-N
XLogP2.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate (CID 83992927) is methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate is COC(=O)N1CC(CC(C)(C)C)CC(NCC(F)F)C1.
What is the InChIKey of methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate?
The InChIKey is KTTZECSUBLQETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2/c1-14(2,3)6-10-5-11(17-7-12(15)16)9-18(8-10)13(19)20-4/h10-12,17H,5-9H2,1-4H3.
What are the key properties of methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate?
methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate has a molecular weight of 292.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,2-difluoroethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 83992927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).