tert-butyl (2R)-2-benzylpiperidine-1-carboxylate

C17H25NO2 — CID 67726841

IUPACtert-butyl (2R)-2-benzylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-12-8-7-11-15(18)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-/m1/s1
InChIKeyRSMLBZLGNDVECE-OAHLLOKOSA-N
MW275.39 g/mol
LogP4.02
Rot. Bonds2

About tert-butyl (2R)-2-benzylpiperidine-1-carboxylate

tert-butyl (2R)-2-benzylpiperidine-1-carboxylate (PubChem CID 67726841) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is tert-butyl (2R)-2-benzylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-benzylpiperidine-1-carboxylate
PubChem CID67726841
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametert-butyl (2R)-2-benzylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-12-8-7-11-15(18)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-/m1/s1
InChIKeyRSMLBZLGNDVECE-OAHLLOKOSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl 2-[(3-phenylmethoxyphenyl)methyl]piperidine-1-carboxylate
CID 138481057
methyl 2-benzylazepane-1-carboxylate
CID 102314657
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
tert-butyl 2-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 69343898
tert-butyl (2S)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 50905469
tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11197513
tert-butyl 2-[3-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)-2-methyl-3-oxopropyl]piperidine-1-carboxylate
CID 102582673
tert-butyl 2-[(benzylideneamino)methyl]piperidine-1-carboxylate
CID 146680133
tert-butyl 2-(dibenzylamino)piperidine-1-carboxylate
CID 175955351
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
CID 58030139
tert-butyl 2-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-1-carboxylate
CID 175986606

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-benzylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-benzylpiperidine-1-carboxylate (CID 67726841) is tert-butyl (2R)-2-benzylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-benzylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-benzylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1Cc1ccccc1.
What is the InChIKey of tert-butyl (2R)-2-benzylpiperidine-1-carboxylate?
The InChIKey is RSMLBZLGNDVECE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(2,3)20-16(19)18-12-8-7-11-15(18)13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-/m1/s1.
What are the key properties of tert-butyl (2R)-2-benzylpiperidine-1-carboxylate?
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-benzylpiperidine-1-carboxylate is sourced from PubChem (CID 67726841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).