ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate

C10H16FNO3 — CID 58282570

IUPACethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CF)CC1
InChIInChI=1S/C10H16FNO3/c1-2-15-10(14)8-3-5-12(6-4-8)9(13)7-11/h8H,2-7H2,1H3
InChIKeySIFFRXPDJSZSGW-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.76
Rot. Bonds3

About ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate

ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate (PubChem CID 58282570) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate
PubChem CID58282570
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Nameethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CF)CC1
InChIInChI=1S/C10H16FNO3/c1-2-15-10(14)8-3-5-12(6-4-8)9(13)7-11/h8H,2-7H2,1H3
InChIKeySIFFRXPDJSZSGW-UHFFFAOYSA-N
XLogP0.76
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tert-butyl 4-ethyl piperidine-1,4-dicarboxylate
CID 2758812
Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Ethyl 1-(dimethylcarbamoyl)piperidine-4-carboxylate
CID 1829960
Ethyl 1-(2-chloroacetyl)piperidine-4-carboxylate
CID 736836
Ethyl 1-[(diethylamino)carbonyl]-4-piperidinecarboxylate
CID 2989403
N-[18F]Fluoroethylpiperidin-4ylmethyl acetate
CID 46172914
Ethyl 1-acetylpiperidine-4-carboxylate
CID 690430
Ethyl 1-(3-methylbutanoyl)piperidine-4-carboxylate
CID 670003
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
Ethyl 1-(2-chloropropanoyl)piperidine-4-carboxylate
CID 3483189
Methyl 1-(3-oxobutanoyl)piperidine-4-carboxylate
CID 18072004
1-[(2-Methylpropoxy)carbonyl]piperidine-4-carboxylic acid
CID 23297951

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate (CID 58282570) is ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CF)CC1.
What is the InChIKey of ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate?
The InChIKey is SIFFRXPDJSZSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-2-15-10(14)8-3-5-12(6-4-8)9(13)7-11/h8H,2-7H2,1H3.
What are the key properties of ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate?
ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate has a molecular weight of 217.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-fluoroacetyl)piperidine-4-carboxylate is sourced from PubChem (CID 58282570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).