benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate

C15H21NO3 — CID 130369185

IUPACbenzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
SMILESCO[C@H]1CC[C@@H](C)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-12-8-9-14(18-2)10-16(12)15(17)19-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyQXNUDJXYHKUTBE-OCCSQVGLSA-N
MW263.34 g/mol
LogP2.82
Rot. Bonds3

About benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate

benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate (PubChem CID 130369185) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
PubChem CID130369185
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate
SMILESCO[C@H]1CC[C@@H](C)N(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-12-8-9-14(18-2)10-16(12)15(17)19-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-,14+/m1/s1
InChIKeyQXNUDJXYHKUTBE-OCCSQVGLSA-N
XLogP2.82
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2S,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 97112056
benzyl (2R)-5-hydroxy-2-methylpiperidine-1-carboxylate
CID 86724500
benzyl (2R,5S)-5-(aminomethyl)-2-methylpiperidine-1-carboxylate
CID 124523421
benzyl (2R,5R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 11521972
benzyl (2R,6R)-5-amino-6-hydroxy-2-methylazepane-1-carboxylate
CID 154193684
benzyl 5-hydroxy-2-methylazepane-1-carboxylate
CID 166141672
benzyl (2R,3R)-3-methoxy-2-methylazetidine-1-carboxylate
CID 168975628
benzyl (2R,5R)-5-azido-2-methylpiperidine-1-carboxylate
CID 90196793
(2S,4R,5R)-2,5-dimethyl-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
CID 178194460
benzyl 4-methoxy-2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 18404291
1-O-benzyl 2-O-methyl (2S,5S)-5-methylsulfonyloxypiperidine-1,2-dicarboxylate
CID 11749045
benzyl (2S,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 118115737

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate (CID 130369185) is benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate is CO[C@H]1CC[C@@H](C)N(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate?
The InChIKey is QXNUDJXYHKUTBE-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H21NO3/c1-12-8-9-14(18-2)10-16(12)15(17)19-11-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3/t12-,14+/m1/s1.
What are the key properties of benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate?
benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,5S)-5-methoxy-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 130369185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).