methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate

C10H17F2NO2 — CID 175554866

IUPACmethyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate
SMILESCCC1(C(=O)OC)CNCCC1C(F)F
InChIInChI=1S/C10H17F2NO2/c1-3-10(9(14)15-2)6-13-5-4-7(10)8(11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyOFRDPNNTOBNSRG-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.43
Rot. Bonds3

About methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate

methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate (PubChem CID 175554866) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate
PubChem CID175554866
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Namemethyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate
SMILESCCC1(C(=O)OC)CNCCC1C(F)F
InChIInChI=1S/C10H17F2NO2/c1-3-10(9(14)15-2)6-13-5-4-7(10)8(11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyOFRDPNNTOBNSRG-UHFFFAOYSA-N
XLogP1.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylate;hydrochloride
CID 121207588
methyl 4-hydroxy-3-methylpiperidine-3-carboxylate
CID 66976940
trans-methyl (1R,2R)-2-(difluoromethyl)-1-(methoxycarbonylamino)cyclopropane-1-carboxylate
CID 118183999
methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate
CID 174441667
methyl (3R)-3-(4,4-difluorobutyl)piperidine-3-carboxylate
CID 178133958
methyl 4-amino-3-ethylthiane-3-carboxylate
CID 84777535
methyl piperidin-4-yl carbonate;hydrochloride
CID 69353904
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
methyl 2,3,4,4a,5,6-hexahydro-1H-isoquinoline-8a-carboxylate
CID 141136777
ethyl 2-(difluoromethyl)-1-formamidocyclopropane-1-carboxylate
CID 141170557
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
3,3-difluoro-N-methoxypiperidine-4-carboxamide
CID 131047905

Frequently Asked Questions

What is the IUPAC name of methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate?
The IUPAC name of methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate (CID 175554866) is methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate?
The canonical SMILES for methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate is CCC1(C(=O)OC)CNCCC1C(F)F.
What is the InChIKey of methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate?
The InChIKey is OFRDPNNTOBNSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-3-10(9(14)15-2)6-13-5-4-7(10)8(11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate?
methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate has a molecular weight of 221.25 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(difluoromethyl)-3-ethylpiperidine-3-carboxylate is sourced from PubChem (CID 175554866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).