[5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate

C18H19FN2O2 — CID 164793538

IUPAC[5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate
SMILESCc1cc(-c2ccc(F)cc2)cnc1OC(=O)N1CCCCC1
InChIInChI=1S/C18H19FN2O2/c1-13-11-15(14-5-7-16(19)8-6-14)12-20-17(13)23-18(22)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyATACOOMPTITNRT-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.18
Rot. Bonds2

About [5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate

[5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate (PubChem CID 164793538) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate
PubChem CID164793538
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name[5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate
SMILESCc1cc(-c2ccc(F)cc2)cnc1OC(=O)N1CCCCC1
InChIInChI=1S/C18H19FN2O2/c1-13-11-15(14-5-7-16(19)8-6-14)12-20-17(13)23-18(22)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyATACOOMPTITNRT-UHFFFAOYSA-N
XLogP4.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate?
The IUPAC name of [5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate (CID 164793538) is [5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate.
What is the SMILES notation for [5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate?
The canonical SMILES for [5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate is Cc1cc(-c2ccc(F)cc2)cnc1OC(=O)N1CCCCC1.
What is the InChIKey of [5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate?
The InChIKey is ATACOOMPTITNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-13-11-15(14-5-7-16(19)8-6-14)12-20-17(13)23-18(22)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3.
What are the key properties of [5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate?
[5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate has a molecular weight of 314.36 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-3-methyl-2-pyridinyl] piperidine-1-carboxylate is sourced from PubChem (CID 164793538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).