2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate

C18H25NO4 — CID 58030139

IUPAC2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-12-8-7-11-15(19)16(20)22-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-/m1/s1
InChIKeyHMCSMUQFBPZWQO-OAHLLOKOSA-N
MW319.40 g/mol
LogP3.52
Rot. Bonds3

About 2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate

2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate (PubChem CID 58030139) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate.

Molecular Properties

Compound Name2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
PubChem CID58030139
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1
InChIInChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-12-8-7-11-15(19)16(20)22-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-/m1/s1
InChIKeyHMCSMUQFBPZWQO-OAHLLOKOSA-N
XLogP3.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 67890856
2-O-benzyl 1-O-tert-butyl (2R)-azetidine-1,2-dicarboxylate
CID 150439110
1-O-benzyl 2-O-tert-butyl piperidine-1,2-dicarboxylate
CID 3340153
tert-butyl (2S)-2-[(4S)-2-oxo-4-phenylmethoxycarbonylazetidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 10787286
tert-butyl 2-(phenylmethoxycarbamoyl)piperidine-1-carboxylate
CID 60596105
benzyl 1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylate
CID 67755128
2-O-benzyl 1-O,4-O-ditert-butyl piperazine-1,2,4-tricarboxylate
CID 118427975
2-O,5-O-dibenzyl 1-O-tert-butyl pyrrolidine-1,2,5-tricarboxylate
CID 134230843
(2S)-2-phenylmethoxycarbonylpiperidine-1-carboxylic acid
CID 68786469
2-O-benzyl 1-O-tert-butyl (2S)-piperazine-1,2-dicarboxylate
CID 67807458
tert-butyl (2S)-2-(phenylmethoxycarbamoyl)pyrrolidine-1-carboxylate
CID 23258205
2-O-[2-(benzylamino)-2-oxoethyl] 1-O-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 11908618

Frequently Asked Questions

What is the IUPAC name of 2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate?
The IUPAC name of 2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate (CID 58030139) is 2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate.
What is the SMILES notation for 2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate?
The canonical SMILES for 2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate is CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)OCc1ccccc1.
What is the InChIKey of 2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate?
The InChIKey is HMCSMUQFBPZWQO-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25NO4/c1-18(2,3)23-17(21)19-12-8-7-11-15(19)16(20)22-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate?
2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate has a molecular weight of 319.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-benzyl 1-O-tert-butyl (2R)-piperidine-1,2-dicarboxylate is sourced from PubChem (CID 58030139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).