ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate

C15H19ClFNO2 — CID 2845955

IUPACethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C15H19ClFNO2/c1-2-20-15(19)11-5-4-8-18(9-11)10-12-13(16)6-3-7-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyAUECHIJNWUINNU-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.25
Rot. Bonds4

About ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate

ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate (PubChem CID 2845955) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate
PubChem CID2845955
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Nameethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1
InChIInChI=1S/C15H19ClFNO2/c1-2-20-15(19)11-5-4-8-18(9-11)10-12-13(16)6-3-7-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3
InChIKeyAUECHIJNWUINNU-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-(2-chloro-6-fluorobenzyl)-4-piperidinecarboxylate
CID 723339
Ethyl 1-(2-fluorobenzyl)piperidine-3-carboxylate
CID 2838130
Ethyl 1-(2-chlorobenzyl)piperidine-3-carboxylate
CID 2838273
Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 2963116
Ethyl 1-(3-chlorobenzyl)piperidine-3-carboxylate
CID 2838527
Methyl 1-benzylpiperidine-3-carboxylate
CID 10059878
Ethyl 1-(2,6-dichlorobenzyl)-3-piperidinecarboxylate
CID 2846100
Ethyl 1-benzyl-4,4-difluoropiperidine-3-carboxylate
CID 68290270
Ethyl 1-(2-chloro-4-fluorobenzoyl)-3-methylpiperidine-3-carboxylate
CID 49778661
Ethyl 1-benzylpiperidine-3-carboxylate
CID 2736370
Ethyl 1-(4-chlorobenzyl)piperidine-3-carboxylate
CID 2838484
Ethyl 1-[(3,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 2837950

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate (CID 2845955) is ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(Cc2c(F)cccc2Cl)C1.
What is the InChIKey of ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate?
The InChIKey is AUECHIJNWUINNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-2-20-15(19)11-5-4-8-18(9-11)10-12-13(16)6-3-7-14(12)17/h3,6-7,11H,2,4-5,8-10H2,1H3.
What are the key properties of ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate?
ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate has a molecular weight of 299.77 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-3-carboxylate is sourced from PubChem (CID 2845955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).