ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate

C15H19F2NO2 — CID 2838125

IUPACethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C15H19F2NO2/c1-2-20-15(19)12-4-3-7-18(10-12)9-11-5-6-13(16)8-14(11)17/h5-6,8,12H,2-4,7,9-10H2,1H3
InChIKeyQQUUUVJOLQHIAZ-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.74
Rot. Bonds4

About ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate

ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate (PubChem CID 2838125) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
PubChem CID2838125
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2ccc(F)cc2F)C1
InChIInChI=1S/C15H19F2NO2/c1-2-20-15(19)12-4-3-7-18(10-12)9-11-5-6-13(16)8-14(11)17/h5-6,8,12H,2-4,7,9-10H2,1H3
InChIKeyQQUUUVJOLQHIAZ-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-benzylpiperidine-4-carboxylate
CID 90423
Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride
CID 102623
Ethyl 1-(4-biphenylylmethyl)-3-piperidinecarboxylate
CID 2838654
Ethyl 1-(2-phenylethyl)-3-piperidinecarboxylate
CID 2845965
Ethyl 1-(3-phenyl-2-propen-1-yl)-3-piperidinecarboxylate
CID 5721691
3-Piperidinecarboxylic acid, 4-oxo-1-(2-phenylethyl)-, ethyl ester, hydrochloride (1:1)
CID 70576
Ethyl 1-benzyl-4-oxopiperidine-3-carboxylate
CID 102624
Ethyl 1-(3,4-difluorobenzyl)-4-piperidinecarboxylate
CID 764426
Ethyl 1-(2,4-difluorobenzyl)-4-piperidinecarboxylate
CID 2056099
Ethyl 1-(2-methylbenzyl)-3-piperidinecarboxylate
CID 2837947
Ethyl 1-(4-fluorobenzyl)-2-piperidinecarboxylate
CID 2837997
Ethyl 1-(2-fluorobenzyl)piperidine-3-carboxylate
CID 2838130

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate (CID 2838125) is ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2ccc(F)cc2F)C1.
What is the InChIKey of ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate?
The InChIKey is QQUUUVJOLQHIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-20-15(19)12-4-3-7-18(10-12)9-11-5-6-13(16)8-14(11)17/h5-6,8,12H,2-4,7,9-10H2,1H3.
What are the key properties of ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate?
ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate has a molecular weight of 283.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 2838125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).