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

C16H23FN2O2 — CID 19698666

IUPACtert-butyl 4-[(2-fluoro-3-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cccnc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-9-6-12(7-10-19)11-13-5-4-8-18-14(13)17/h4-5,8,12H,6-7,9-11H2,1-3H3
InChIKeyIKRFBAVIBMUIIT-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.41
Rot. Bonds2

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

tert-butyl 4-[(2-fluoro-3-pyridinyl)methyl]piperidine-1-carboxylate (PubChem CID 19698666) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl 4-[(2-fluoro-3-pyridinyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-fluoro-3-pyridinyl)methyl]piperidine-1-carboxylate
PubChem CID19698666
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametert-butyl 4-[(2-fluoro-3-pyridinyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cccnc2F)CC1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-9-6-12(7-10-19)11-13-5-4-8-18-14(13)17/h4-5,8,12H,6-7,9-11H2,1-3H3
InChIKeyIKRFBAVIBMUIIT-UHFFFAOYSA-N
XLogP3.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.41
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)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-fluoro-3-pyridinyl)methyl]piperidine-1-carboxylate (CID 19698666) is tert-butyl 4-[(2-fluoro-3-pyridinyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-fluoro-3-pyridinyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-fluoro-3-pyridinyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Cc2cccnc2F)CC1.
What is the InChIKey of tert-butyl 4-[(2-fluoro-3-pyridinyl)methyl]piperidine-1-carboxylate?
The InChIKey is IKRFBAVIBMUIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-9-6-12(7-10-19)11-13-5-4-8-18-14(13)17/h4-5,8,12H,6-7,9-11H2,1-3H3.
What are the key properties of tert-butyl 4-[(2-fluoro-3-pyridinyl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[(2-fluoro-3-pyridinyl)methyl]piperidine-1-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 3.41, 2 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)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 19698666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).