ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate

C15H20FNO2 — CID 763824

IUPACethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)12-7-9-17(10-8-12)11-13-5-3-4-6-14(13)16/h3-6,12H,2,7-11H2,1H3
InChIKeyOYXHZHQLUBTZEW-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.60
Rot. Bonds4

About ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate

ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate (PubChem CID 763824) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate
PubChem CID763824
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Nameethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C15H20FNO2/c1-2-19-15(18)12-7-9-17(10-8-12)11-13-5-3-4-6-14(13)16/h3-6,12H,2,7-11H2,1H3
InChIKeyOYXHZHQLUBTZEW-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzylpiperidine-4-carbaldehyde
CID 89584
Ethyl 1-(3-phenyl-2-propen-1-yl)-4-piperidinecarboxylate
CID 782814
Ethyl 1-benzylpiperidine-4-carboxylate
CID 90423
Ethyl 1-benzyl-3-oxopiperidine-4-carboxylate hydrochloride
CID 2723880
Ethyl 1-(4-biphenylylmethyl)-4-piperidinecarboxylate
CID 765234
Ethyl 3-oxo-1-(phenylmethyl)-4-piperidinecarboxylate
CID 419705
Methyl 1-benzylpyrrolidine-3-carboxylate
CID 4610751
N-(3-Methoxy-2-methyl-3-oxopropyl)-N-(phenylmethyl)-beta-alanine ethyl ester
CID 98098
Ethyl 1-(2-chloro-6-fluorobenzyl)-4-piperidinecarboxylate
CID 723339
Ethyl 1-[(3-bromo-4-fluorophenyl)methyl]piperidine-4-carboxylate
CID 764039
Ethyl 1-(3,4-difluorobenzyl)-4-piperidinecarboxylate
CID 764426
ethyl 1-((2E)-3-phenylprop-2-enoyl)piperidine-4-carboxylate
CID 802440

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate (CID 763824) is ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate?
The InChIKey is OYXHZHQLUBTZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-19-15(18)12-7-9-17(10-8-12)11-13-5-3-4-6-14(13)16/h3-6,12H,2,7-11H2,1H3.
What are the key properties of ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-fluorophenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 763824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).