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

C10H18FNO2 — CID 79317038

IUPACethyl 1-(2-fluoroethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCF)CC1
InChIInChI=1S/C10H18FNO2/c1-2-14-10(13)9-3-6-12(7-4-9)8-5-11/h9H,2-8H2,1H3
InChIKeyRTJYYNYFKXKEHY-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.23
Rot. Bonds4

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

ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate (PubChem CID 79317038) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-fluoroethyl)piperidine-4-carboxylate
PubChem CID79317038
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Nameethyl 1-(2-fluoroethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCF)CC1
InChIInChI=1S/C10H18FNO2/c1-2-14-10(13)9-3-6-12(7-4-9)8-5-11/h9H,2-8H2,1H3
InChIKeyRTJYYNYFKXKEHY-UHFFFAOYSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
CID 74605
Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
Ethyl 1-(2-chloroethyl)piperidine-4-carboxylate
CID 61287119
Methyl 4-carbethoxy-1-piperidineacetate
CID 260383
N-[18F]Fluoroethylpiperidin-4ylmethyl acetate
CID 46172914
[1-(2-Fluoroethyl)piperidin-4-yl]methyl butanoate
CID 10105300
[1-(2-Fluoroethyl)piperidin-4-yl]methyl acetate
CID 11820197
Ethyl 4-(piperidin-1-yl)butanoate
CID 14044356
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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate (CID 79317038) is ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CCF)CC1.
What is the InChIKey of ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate?
The InChIKey is RTJYYNYFKXKEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-2-14-10(13)9-3-6-12(7-4-9)8-5-11/h9H,2-8H2,1H3.
What are the key properties of ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate?
ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate has a molecular weight of 203.26 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate is sourced from PubChem (CID 79317038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).