tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate

C15H22N2O2 — CID 11108143

IUPACtert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccccn2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-7-12(8-11-17)13-6-4-5-9-16-13/h4-6,9,12H,7-8,10-11H2,1-3H3
InChIKeyZTQIVJVEVSAJMX-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.20
Rot. Bonds1

About tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate

tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate (PubChem CID 11108143) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
PubChem CID11108143
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccccn2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-7-12(8-11-17)13-6-4-5-9-16-13/h4-6,9,12H,7-8,10-11H2,1-3H3
InChIKeyZTQIVJVEVSAJMX-UHFFFAOYSA-N
XLogP3.20
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(3-methyl-2-pyridin-2-ylphenyl)piperidine-1-carboxylate
CID 170633547
tert-butyl 4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidine-1-carboxylate
CID 54773193
tert-butyl 4-(6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 134611090
tert-butyl 4-(4-carbamoyl-2-pyridinyl)piperidine-1-carboxylate
CID 175285120
tert-butyl 4-(2-chloropyrimidin-4-yl)piperidine-1-carboxylate
CID 46839930
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 4-(6-ethoxy-2-pyridinyl)piperidine-1-carboxylate
CID 170079671
ethane;methyl 3-pyridin-2-ylpyrrolidine-1-carboxylate
CID 123830280
tert-butyl 4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidine-1-carboxylate
CID 163230393
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-pyridinyl]benzoic acid
CID 175660741
tert-butyl 4-imidazo[1,2-a]pyridin-2-ylpiperidine-1-carboxylate
CID 168797696

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate (CID 11108143) is tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccccn2)CC1.
What is the InChIKey of tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate?
The InChIKey is ZTQIVJVEVSAJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-7-12(8-11-17)13-6-4-5-9-16-13/h4-6,9,12H,7-8,10-11H2,1-3H3.
What are the key properties of tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate?
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate is sourced from PubChem (CID 11108143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).