ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate

C15H19ClFNO2 — CID 723339

IUPACethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H19ClFNO2/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
InChIKeyISUVICAVZBQLBB-UHFFFAOYSA-N
MW299.77 g/mol
LogP3.25
Rot. Bonds4

About ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate

ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate (PubChem CID 723339) 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-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate
PubChem CID723339
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Nameethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C15H19ClFNO2/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
InChIKeyISUVICAVZBQLBB-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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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate (CID 723339) is ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate?
The InChIKey is ISUVICAVZBQLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFNO2/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-chloro-6-fluorophenyl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-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-4-carboxylate is sourced from PubChem (CID 723339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).