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

C15H19ClFNO2 — CID 5333483

IUPACethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFNO2/c1-2-20-15(19)14-8-3-4-9-18(14)10-11-12(16)6-5-7-13(11)17/h5-7,14H,2-4,8-10H2,1H3
InChIKeyZBYLLHWTTWPVRV-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.40
Rot. Bonds4

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

ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylate (PubChem CID 5333483) 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-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylate
PubChem CID5333483
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Nameethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1Cc1c(F)cccc1Cl
InChIInChI=1S/C15H19ClFNO2/c1-2-20-15(19)14-8-3-4-9-18(14)10-11-12(16)6-5-7-13(11)17/h5-7,14H,2-4,8-10H2,1H3
InChIKeyZBYLLHWTTWPVRV-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylate (CID 5333483) is ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1Cc1c(F)cccc1Cl.
What is the InChIKey of ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylate?
The InChIKey is ZBYLLHWTTWPVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-2-20-15(19)14-8-3-4-9-18(14)10-11-12(16)6-5-7-13(11)17/h5-7,14H,2-4,8-10H2,1H3.
What are the key properties of ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylate?
ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylate has a molecular weight of 299.77 g/mol, XLogP of 3.40, 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-2-carboxylate is sourced from PubChem (CID 5333483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).