tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate

C15H21FN2O2 — CID 138487988

IUPACtert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cccnc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-6-11(7-10-18)12-5-4-8-17-13(12)16/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyKKUHXLFXDKHHCM-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.34
Rot. Bonds1

About tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 138487988) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate
PubChem CID138487988
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC Nametert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cccnc2F)CC1
InChIInChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-6-11(7-10-18)12-5-4-8-17-13(12)16/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyKKUHXLFXDKHHCM-UHFFFAOYSA-N
XLogP3.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate (CID 138487988) is tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cccnc2F)CC1.
What is the InChIKey of tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is KKUHXLFXDKHHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-15(2,3)20-14(19)18-9-6-11(7-10-18)12-5-4-8-17-13(12)16/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 280.34 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-fluoro-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 138487988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).