tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate

C15H22N2O2 — CID 21334263

IUPACtert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2cccnc2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)12-6-9-17(10-7-12)13-5-4-8-16-11-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyLZJIQHSJSOPLNG-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.64
Rot. Bonds2

About tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate

tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate (PubChem CID 21334263) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
PubChem CID21334263
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Nametert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate
SMILESCC(C)(C)OC(=O)C1CCN(c2cccnc2)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)12-6-9-17(10-7-12)13-5-4-8-16-11-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3
InChIKeyLZJIQHSJSOPLNG-UHFFFAOYSA-N
XLogP2.64
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate?
The IUPAC name of tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate (CID 21334263) is tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate.
What is the SMILES notation for tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate?
The canonical SMILES for tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate is CC(C)(C)OC(=O)C1CCN(c2cccnc2)CC1.
What is the InChIKey of tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate?
The InChIKey is LZJIQHSJSOPLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)12-6-9-17(10-7-12)13-5-4-8-16-11-13/h4-5,8,11-12H,6-7,9-10H2,1-3H3.
What are the key properties of tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate?
tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate has a molecular weight of 262.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-pyridin-3-ylpiperidine-4-carboxylate is sourced from PubChem (CID 21334263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).