tert-butyl 3-benzylpiperidine-1-carboxylate

C17H25NO2 — CID 22351199

IUPACtert-butyl 3-benzylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-11-7-10-15(13-18)12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3
InChIKeyUDCJHLIHVGGUIC-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.88
Rot. Bonds2

About tert-butyl 3-benzylpiperidine-1-carboxylate

tert-butyl 3-benzylpiperidine-1-carboxylate (PubChem CID 22351199) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl 3-benzylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-benzylpiperidine-1-carboxylate
PubChem CID22351199
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl 3-benzylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(Cc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-11-7-10-15(13-18)12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3
InChIKeyUDCJHLIHVGGUIC-UHFFFAOYSA-N
XLogP3.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-benzylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-benzylpiperidine-1-carboxylate (CID 22351199) is tert-butyl 3-benzylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-benzylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-benzylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(Cc2ccccc2)C1.
What is the InChIKey of tert-butyl 3-benzylpiperidine-1-carboxylate?
The InChIKey is UDCJHLIHVGGUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-11-7-10-15(13-18)12-14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-13H2,1-3H3.
What are the key properties of tert-butyl 3-benzylpiperidine-1-carboxylate?
tert-butyl 3-benzylpiperidine-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-benzylpiperidine-1-carboxylate is sourced from PubChem (CID 22351199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).