ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate

C20H21FN2O2 — CID 23326079

IUPACethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=C(c2ccc(F)cc2)c2cccnc2)CC1
InChIInChI=1S/C20H21FN2O2/c1-2-25-20(24)23-12-9-16(10-13-23)19(17-4-3-11-22-14-17)15-5-7-18(21)8-6-15/h3-8,11,14H,2,9-10,12-13H2,1H3
InChIKeyIIWVEIBMPSQOCA-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.27
Rot. Bonds3

About ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate

ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate (PubChem CID 23326079) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate
PubChem CID23326079
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Nameethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(=C(c2ccc(F)cc2)c2cccnc2)CC1
InChIInChI=1S/C20H21FN2O2/c1-2-25-20(24)23-12-9-16(10-13-23)19(17-4-3-11-22-14-17)15-5-7-18(21)8-6-15/h3-8,11,14H,2,9-10,12-13H2,1H3
InChIKeyIIWVEIBMPSQOCA-UHFFFAOYSA-N
XLogP4.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate (CID 23326079) is ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate is CCOC(=O)N1CCC(=C(c2ccc(F)cc2)c2cccnc2)CC1.
What is the InChIKey of ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate?
The InChIKey is IIWVEIBMPSQOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-2-25-20(24)23-12-9-16(10-13-23)19(17-4-3-11-22-14-17)15-5-7-18(21)8-6-15/h3-8,11,14H,2,9-10,12-13H2,1H3.
What are the key properties of ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate?
ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate has a molecular weight of 340.40 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-fluorophenyl)-pyridin-3-ylmethylidene]piperidine-1-carboxylate is sourced from PubChem (CID 23326079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).