tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate

C16H23NO2 — CID 10659095

IUPACtert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1
InChIInChI=1S/C16H23NO2/c1-16(2,3)19-15(18)14-11-7-10-13(17-14)12-8-5-4-6-9-12/h4-6,8-9,13-14,17H,7,10-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyAHXREMCFHJLZIG-KGLIPLIRSA-N
MW261.37 g/mol
LogP3.21
Rot. Bonds2

About tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate

tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate (PubChem CID 10659095) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate
PubChem CID10659095
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nametert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1
InChIInChI=1S/C16H23NO2/c1-16(2,3)19-15(18)14-11-7-10-13(17-14)12-8-5-4-6-9-12/h4-6,8-9,13-14,17H,7,10-11H2,1-3H3/t13-,14+/m1/s1
InChIKeyAHXREMCFHJLZIG-KGLIPLIRSA-N
XLogP3.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate?
The IUPAC name of tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate (CID 10659095) is tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate is CC(C)(C)OC(=O)[C@@H]1CCC[C@H](c2ccccc2)N1.
What is the InChIKey of tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate?
The InChIKey is AHXREMCFHJLZIG-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)14-11-7-10-13(17-14)12-8-5-4-6-9-12/h4-6,8-9,13-14,17H,7,10-11H2,1-3H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate?
tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate is sourced from PubChem (CID 10659095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).