methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate

C15H21NO3 — CID 129407469

IUPACmethyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](O)CCN(Cc2ccccc2)[C@@H]1C
InChIInChI=1S/C15H21NO3/c1-11-14(15(18)19-2)13(17)8-9-16(11)10-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3/t11-,13-,14+/m1/s1
InChIKeyGLMXZJYJOSYFJV-BNOWGMLFSA-N
MW263.34 g/mol
LogP1.43
Rot. Bonds3

About methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate

methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate (PubChem CID 129407469) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
PubChem CID129407469
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](O)CCN(Cc2ccccc2)[C@@H]1C
InChIInChI=1S/C15H21NO3/c1-11-14(15(18)19-2)13(17)8-9-16(11)10-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3/t11-,13-,14+/m1/s1
InChIKeyGLMXZJYJOSYFJV-BNOWGMLFSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3S)-1-benzyl-3-hydroxypyrrolidine-2-carboxylate
CID 57385727
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
methyl (2S,3R)-1-benzyl-3-methylpiperidine-2-carboxylate
CID 10610504
1-benzyl-3-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 138114242
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
[(2S,3R,4S)-1-benzyl-2,3-dimethylpiperidin-4-yl] acetate
CID 715182
dimethyl (5S,6R,7R,7aS)-1-benzyl-6-methyl-2,3,5,6,7,7a-hexahydropyrrolo[1,2-a]imidazole-5,7-dicarboxylate
CID 10664319
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
methyl 1-benzyl-2-deuteriopyrrolidine-2-carboxylate
CID 132570943
methyl (3R,4S)-1-benzyl-4-hydroxypiperidine-3-carboxylate
CID 86328839

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate?
The IUPAC name of methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate (CID 129407469) is methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate?
The canonical SMILES for methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate is COC(=O)[C@@H]1[C@H](O)CCN(Cc2ccccc2)[C@@H]1C.
What is the InChIKey of methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate?
The InChIKey is GLMXZJYJOSYFJV-BNOWGMLFSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11-14(15(18)19-2)13(17)8-9-16(11)10-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10H2,1-2H3/t11-,13-,14+/m1/s1.
What are the key properties of methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate?
methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate is sourced from PubChem (CID 129407469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).