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

C14H19NO3 — CID 10514758

IUPACbenzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1[C@H](O)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11-13(16)8-5-9-15(11)14(17)18-10-12-6-3-2-4-7-12/h2-4,6-7,11,13,16H,5,8-10H2,1H3/t11-,13-/m1/s1
InChIKeySLYQEJBYVKKBNK-DGCLKSJQSA-N
MW249.31 g/mol
LogP2.17
Rot. Bonds2

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

benzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate (PubChem CID 10514758) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is benzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate
PubChem CID10514758
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namebenzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1[C@H](O)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C14H19NO3/c1-11-13(16)8-5-9-15(11)14(17)18-10-12-6-3-2-4-7-12/h2-4,6-7,11,13,16H,5,8-10H2,1H3/t11-,13-/m1/s1
InChIKeySLYQEJBYVKKBNK-DGCLKSJQSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate (CID 10514758) is benzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate is C[C@@H]1[C@H](O)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate?
The InChIKey is SLYQEJBYVKKBNK-DGCLKSJQSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11-13(16)8-5-9-15(11)14(17)18-10-12-6-3-2-4-7-12/h2-4,6-7,11,13,16H,5,8-10H2,1H3/t11-,13-/m1/s1.
What are the key properties of benzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate?
benzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R)-3-hydroxy-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 10514758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).