tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate

C16H23FN2O2 — CID 59505000

IUPACtert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate
SMILESCc1cnc(F)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C16H23FN2O2/c1-11-9-13(14(17)18-10-11)12-5-7-19(8-6-12)15(20)21-16(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyRHVSMQNCUXATCV-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.64
Rot. Bonds1

About tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate

tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate (PubChem CID 59505000) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate
PubChem CID59505000
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate
SMILESCc1cnc(F)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C16H23FN2O2/c1-11-9-13(14(17)18-10-11)12-5-7-19(8-6-12)15(20)21-16(2,3)4/h9-10,12H,5-8H2,1-4H3
InChIKeyRHVSMQNCUXATCV-UHFFFAOYSA-N
XLogP3.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.64
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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Related Compounds

tert-butyl 3-(3-fluoro-5-methyl-2-pyridinyl)pyrrolidine-1-carboxylate
CID 145296635
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
2-fluoro-5-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171905716
tert-butyl 4-[5-fluoro-2-(hydrazinecarbonyl)-3-pyridinyl]piperidine-1-carboxylate
CID 171092418
tert-butyl 4-[4-fluoro-2-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 118483512
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292
tert-butyl 4-(2-fluoro-4-methoxycarbonyl-5-methylphenyl)piperidine-1-carboxylate
CID 166077537
tert-butyl 4-[2-[(2,6-difluoro-4-methylphenoxy)methyl]phenyl]piperidine-1-carboxylate
CID 157496169
tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane
CID 176552618
tert-butyl 4-[4-fluoro-2-(hydroxymethyl)phenyl]piperidine-1-carboxylate
CID 59327647
tert-butyl 4-(3-acetyloxy-5-fluoro-2-pyridinyl)piperidine-1-carboxylate
CID 59505097
3-methyl-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 162396091

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate (CID 59505000) is tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate is Cc1cnc(F)c(C2CCN(C(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate?
The InChIKey is RHVSMQNCUXATCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-11-9-13(14(17)18-10-11)12-5-7-19(8-6-12)15(20)21-16(2,3)4/h9-10,12H,5-8H2,1-4H3.
What are the key properties of tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate?
tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 3.64, 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-5-methyl-3-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 59505000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).