ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate

C10H17F2NO2 — CID 19622902

IUPACethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-2-15-10(14)8-4-3-5-13(6-8)7-9(11)12/h8-9H,2-7H2,1H3
InChIKeyOABUDWSXAXKABV-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.53
Rot. Bonds4

About ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate

ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate (PubChem CID 19622902) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate
PubChem CID19622902
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Nameethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(F)F)C1
InChIInChI=1S/C10H17F2NO2/c1-2-15-10(14)8-4-3-5-13(6-8)7-9(11)12/h8-9H,2-7H2,1H3
InChIKeyOABUDWSXAXKABV-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylnipecotinic acid methyl ester
CID 15535
Ethyl 1-methylpiperidine-3-carboxylate
CID 97981
methyl (3S)-1-methylpiperidine-3-carboxylate
CID 641103
ethyl (3S)-1-methylpiperidine-3-carboxylate
CID 736035
Ethyl 1-pentanoyl-3-piperidinecarboxylate
CID 2957207
Methyl N-methylnipecotate methobromide
CID 9881457
Piperidinium, 1-ethyl-3-(methoxycarbonyl)-1-methyl-, bromide
CID 3048291
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
1-Tert-butyl 3-methyl 5,5-difluoropiperidine-1,3-dicarboxylate
CID 68309262
Ethyl 1-propionyl-3-piperidinecarboxylate
CID 2952241
Methyl 1-methyl-3-piperidinecarboxylate methobromide
CID 126959672
Ethyl 1-chloropiperidine-3-carboxylate
CID 12177584

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate (CID 19622902) is ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(F)F)C1.
What is the InChIKey of ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate?
The InChIKey is OABUDWSXAXKABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-2-15-10(14)8-4-3-5-13(6-8)7-9(11)12/h8-9H,2-7H2,1H3.
What are the key properties of ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate?
ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate has a molecular weight of 221.25 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,2-difluoroethyl)piperidine-3-carboxylate is sourced from PubChem (CID 19622902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).