methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate

C11H19F2NO2 — CID 175554855

IUPACmethyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate
SMILESCCC1(C(=O)OC)CN(C)CCC1C(F)F
InChIInChI=1S/C11H19F2NO2/c1-4-11(10(15)16-3)7-14(2)6-5-8(11)9(12)13/h8-9H,4-7H2,1-3H3
InChIKeyLYNCWGXDLQZEIJ-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.77
Rot. Bonds3

About methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate

methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate (PubChem CID 175554855) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate
PubChem CID175554855
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Namemethyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate
SMILESCCC1(C(=O)OC)CN(C)CCC1C(F)F
InChIInChI=1S/C11H19F2NO2/c1-4-11(10(15)16-3)7-14(2)6-5-8(11)9(12)13/h8-9H,4-7H2,1-3H3
InChIKeyLYNCWGXDLQZEIJ-UHFFFAOYSA-N
XLogP1.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate?
The IUPAC name of methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate (CID 175554855) is methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate?
The canonical SMILES for methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate is CCC1(C(=O)OC)CN(C)CCC1C(F)F.
What is the InChIKey of methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate?
The InChIKey is LYNCWGXDLQZEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-4-11(10(15)16-3)7-14(2)6-5-8(11)9(12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate?
methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate has a molecular weight of 235.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(difluoromethyl)-3-ethyl-1-methylpiperidine-3-carboxylate is sourced from PubChem (CID 175554855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).