1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

C14H24FNO4 — CID 67695357

IUPAC1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCCCC(F)OC(=O)N1CCCC(CC(=O)OCC)C1
InChIInChI=1S/C14H24FNO4/c1-3-6-12(15)20-14(18)16-8-5-7-11(10-16)9-13(17)19-4-2/h11-12H,3-10H2,1-2H3
InChIKeyAYYBWEHPDMAOON-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.88
Rot. Bonds6

About 1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate

1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate (PubChem CID 67695357) has the molecular formula C14H24FNO4 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Name1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
PubChem CID67695357
Molecular FormulaC14H24FNO4
Molecular Weight289.35 g/mol
Exact Mass289.17
IUPAC Name1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
SMILESCCCC(F)OC(=O)N1CCCC(CC(=O)OCC)C1
InChIInChI=1S/C14H24FNO4/c1-3-6-12(15)20-14(18)16-8-5-7-11(10-16)9-13(17)19-4-2/h11-12H,3-10H2,1-2H3
InChIKeyAYYBWEHPDMAOON-UHFFFAOYSA-N
XLogP2.88
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 4-(3-ethoxy-3-oxopropanoyl)piperidine-1-carboxylate
CID 6618868
2-(1-((Tert-butoxy)carbonyl)piperidin-3-yl)acetic acid
CID 4115028
4-Ethyl 1-methyl piperidine-1,4-dicarboxylate
CID 16641058
(S)-2-(1-(tert-butoxycarbonyl)piperidin-3-yl)acetic acid
CID 1502084
2-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 1502085
Isonipecotic acid, N-isobutoxycarbonyl-, ethyl ester
CID 21470003
Piperidine-1,4-dicarboxylic acid diethyl ester
CID 23084679
Isonipecotic acid, n-butoxycarbonyl-, ethyl ester
CID 68328252
Isonipecotic acid, n-butoxycarbonyl-, butyl ester
CID 68735722
Isonipecotic acid, N-ethoxycarbonyl-, butyl ester
CID 91728455
2-{1-[(Tert-butoxy)carbonyl]piperidin-3-yl}-2-fluoroacetic acid
CID 105514236
2-(1-((Tert-butoxy)carbonyl)piperidin-3-yl)-2,2-difluoroacetic acid
CID 105521267

Frequently Asked Questions

What is the IUPAC name of 1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The IUPAC name of 1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate (CID 67695357) is 1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate.
What is the SMILES notation for 1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The canonical SMILES for 1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate is CCCC(F)OC(=O)N1CCCC(CC(=O)OCC)C1.
What is the InChIKey of 1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
The InChIKey is AYYBWEHPDMAOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO4/c1-3-6-12(15)20-14(18)16-8-5-7-11(10-16)9-13(17)19-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate?
1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate has a molecular weight of 289.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorobutyl 3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate is sourced from PubChem (CID 67695357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).