fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate

C12H13ClFNO2 — CID 143493859

IUPACfluoro 4-(4-chlorophenyl)piperidine-4-carboxylate
SMILESO=C(OF)C1(c2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C12H13ClFNO2/c13-10-3-1-9(2-4-10)12(11(16)17-14)5-7-15-8-6-12/h1-4,15H,5-8H2
InChIKeyZOKBWSCKMLNCCN-UHFFFAOYSA-N
MW257.69 g/mol
LogP2.39
Rot. Bonds2

About fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate

fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate (PubChem CID 143493859) has the molecular formula C12H13ClFNO2 and a molecular weight of 257.69 g/mol. Its IUPAC name is fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namefluoro 4-(4-chlorophenyl)piperidine-4-carboxylate
PubChem CID143493859
Molecular FormulaC12H13ClFNO2
Molecular Weight257.69 g/mol
Exact Mass257.06
IUPAC Namefluoro 4-(4-chlorophenyl)piperidine-4-carboxylate
SMILESO=C(OF)C1(c2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C12H13ClFNO2/c13-10-3-1-9(2-4-10)12(11(16)17-14)5-7-15-8-6-12/h1-4,15H,5-8H2
InChIKeyZOKBWSCKMLNCCN-UHFFFAOYSA-N
XLogP2.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.69
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate?
The IUPAC name of fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate (CID 143493859) is fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate.
What is the SMILES notation for fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate?
The canonical SMILES for fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate is O=C(OF)C1(c2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate?
The InChIKey is ZOKBWSCKMLNCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO2/c13-10-3-1-9(2-4-10)12(11(16)17-14)5-7-15-8-6-12/h1-4,15H,5-8H2.
What are the key properties of fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate?
fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate has a molecular weight of 257.69 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 4-(4-chlorophenyl)piperidine-4-carboxylate is sourced from PubChem (CID 143493859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).