ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate

C15H19F2NO2 — CID 115879637

IUPACethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C15H19F2NO2/c1-2-20-15(19)11-6-8-18(9-7-11)10-12-13(16)4-3-5-14(12)17/h3-5,11H,2,6-10H2,1H3
InChIKeyZJKDOMURTFCWKR-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.74
Rot. Bonds4

About ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate

ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate (PubChem CID 115879637) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
PubChem CID115879637
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Nameethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2c(F)cccc2F)CC1
InChIInChI=1S/C15H19F2NO2/c1-2-20-15(19)11-6-8-18(9-7-11)10-12-13(16)4-3-5-14(12)17/h3-5,11H,2,6-10H2,1H3
InChIKeyZJKDOMURTFCWKR-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

methyl 1-[(2,6-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 113345340
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
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ethyl 1-[(5-fluorothiophen-2-yl)methyl]piperidine-4-carboxylate
CID 50896519
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
ethyl 1-[[4-(aminomethyl)-2-fluorophenyl]methyl]piperidine-4-carboxylate
CID 63383296
benzene;ethyl 1-ethylpiperidine-4-carboxylate
CID 90944118
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544
methyl 1-[(2,6-dimethylphenyl)methyl]piperidine-4-carboxylate
CID 78997161
ethyl 1-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxylate
CID 73292195
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 10106780

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate (CID 115879637) is ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2c(F)cccc2F)CC1.
What is the InChIKey of ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate?
The InChIKey is ZJKDOMURTFCWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-2-20-15(19)11-6-8-18(9-7-11)10-12-13(16)4-3-5-14(12)17/h3-5,11H,2,6-10H2,1H3.
What are the key properties of ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-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-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 115879637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).