benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate

C16H21NO4 — CID 23212404

IUPACbenzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
SMILESCC(=O)OCC1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H21NO4/c1-13(18)20-12-15-9-5-6-10-17(15)16(19)21-11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3
InChIKeyOVDMGOOPOLHXKD-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.74
Rot. Bonds4

About benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate

benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate (PubChem CID 23212404) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
PubChem CID23212404
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namebenzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
SMILESCC(=O)OCC1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H21NO4/c1-13(18)20-12-15-9-5-6-10-17(15)16(19)21-11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3
InChIKeyOVDMGOOPOLHXKD-UHFFFAOYSA-N
XLogP2.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate
CID 11002985
benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
CID 129394028
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate
CID 66563825
benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
CID 10956739
benzyl 2-(2-iodoethyl)piperidine-1-carboxylate
CID 138375665
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
benzyl (2S)-2-(2-hydroxypropoxymethyl)pyrrolidine-1-carboxylate
CID 177494316
[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]methyl 3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 141263315
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate (CID 23212404) is benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate is CC(=O)OCC1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate?
The InChIKey is OVDMGOOPOLHXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-13(18)20-12-15-9-5-6-10-17(15)16(19)21-11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-12H2,1H3.
What are the key properties of benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate?
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 23212404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).