benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate

C21H25NO4 — CID 10498412

IUPACbenzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate
SMILESCO[C@@H]1[C@H](OCc2ccccc2)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-24-20-19(25-15-17-9-4-2-5-10-17)13-8-14-22(20)21(23)26-16-18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/t19-,20-/m1/s1
InChIKeyNZUOUCCMNIKWHP-WOJBJXKFSA-N
MW355.43 g/mol
LogP3.98
Rot. Bonds6

About benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate

benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate (PubChem CID 10498412) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate
PubChem CID10498412
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Namebenzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate
SMILESCO[C@@H]1[C@H](OCc2ccccc2)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C21H25NO4/c1-24-20-19(25-15-17-9-4-2-5-10-17)13-8-14-22(20)21(23)26-16-18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/t19-,20-/m1/s1
InChIKeyNZUOUCCMNIKWHP-WOJBJXKFSA-N
XLogP3.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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benzyl (2S,3R)-3-amino-2-methylpiperidine-1-carboxylate
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methyl (2S)-1-[(2R)-1-phenylmethoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate
CID 118687273
benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
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benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(hydroxymethyl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate?
The IUPAC name of benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate (CID 10498412) is benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate is CO[C@@H]1[C@H](OCc2ccccc2)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate?
The InChIKey is NZUOUCCMNIKWHP-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H25NO4/c1-24-20-19(25-15-17-9-4-2-5-10-17)13-8-14-22(20)21(23)26-16-18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/t19-,20-/m1/s1.
What are the key properties of benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate?
benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate has a molecular weight of 355.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate is sourced from PubChem (CID 10498412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).