benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate

C16H21NO3 — CID 10956739

IUPACbenzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC[C@@H]1C[C@@H]1CO1
InChIInChI=1S/C16H21NO3/c18-16(20-11-13-6-2-1-3-7-13)17-9-5-4-8-14(17)10-15-12-19-15/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15-/m1/s1
InChIKeySAGWIWXXJQNNAI-HUUCEWRRSA-N
MW275.35 g/mol
LogP2.97
Rot. Bonds4

About benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate

benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate (PubChem CID 10956739) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
PubChem CID10956739
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namebenzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCC[C@@H]1C[C@@H]1CO1
InChIInChI=1S/C16H21NO3/c18-16(20-11-13-6-2-1-3-7-13)17-9-5-4-8-14(17)10-15-12-19-15/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15-/m1/s1
InChIKeySAGWIWXXJQNNAI-HUUCEWRRSA-N
XLogP2.97
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl 2-(2-iodoethyl)piperidine-1-carboxylate
CID 138375665
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
benzyl 2-(oxiran-2-yl)pyrrolidine-1-carboxylate
CID 21051103
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate
CID 66563825
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841
benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
CID 129394028
2-[(1-phenylmethoxycarbonylpiperidin-2-yl)methylsulfanyl]acetic acid
CID 66564501
benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 96552602

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate (CID 10956739) is benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCC[C@@H]1C[C@@H]1CO1.
What is the InChIKey of benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate?
The InChIKey is SAGWIWXXJQNNAI-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H21NO3/c18-16(20-11-13-6-2-1-3-7-13)17-9-5-4-8-14(17)10-15-12-19-15/h1-3,6-7,14-15H,4-5,8-12H2/t14-,15-/m1/s1.
What are the key properties of benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate?
benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 10956739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).