benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate

C19H25NO6 — CID 11002985

IUPACbenzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate
SMILESCC(=O)OC[C@H]1CCC[C@@H](COC(C)=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C19H25NO6/c1-14(21)24-12-17-9-6-10-18(13-25-15(2)22)20(17)19(23)26-11-16-7-4-3-5-8-16/h3-5,7-8,17-18H,6,9-13H2,1-2H3/t17-,18+
InChIKeyDLSSTTUWXUPLIQ-HDICACEKSA-N
MW363.41 g/mol
LogP2.67
Rot. Bonds6

About benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate

benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate (PubChem CID 11002985) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate
PubChem CID11002985
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Namebenzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate
SMILESCC(=O)OC[C@H]1CCC[C@@H](COC(C)=O)N1C(=O)OCc1ccccc1
InChIInChI=1S/C19H25NO6/c1-14(21)24-12-17-9-6-10-18(13-25-15(2)22)20(17)19(23)26-11-16-7-4-3-5-8-16/h3-5,7-8,17-18H,6,9-13H2,1-2H3/t17-,18+
InChIKeyDLSSTTUWXUPLIQ-HDICACEKSA-N
XLogP2.67
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
benzyl (2R,5S)-2-(2-acetyloxyethyl)-5-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 73294392
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
(2S,6R)-6-(carboxymethyl)-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 125455789
benzyl (2S,5R)-2-(methoxymethyl)-5-methylpyrrolidine-1-carboxylate
CID 102294969
benzyl (3S)-3-(acetyloxymethyl)piperidine-1-carboxylate
CID 10589659
2-[(2R,6S)-6-[(1R)-1-hydroxypropyl]-1-phenylmethoxycarbonylpiperidin-2-yl]acetic acid
CID 10640527
benzyl (2R,5R)-2-(2-oxopropyl)-5-phenylpyrrolidine-1-carboxylate
CID 102084079
benzyl (1S,6R)-10-azabicyclo[4.3.1]dec-3-ene-10-carboxylate
CID 12049881
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
benzyl acetate
CID 8785
benzyl (2R,6S)-2-ethenyl-6-prop-2-enylpiperidine-1-carboxylate
CID 11161942

Frequently Asked Questions

What is the IUPAC name of benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate (CID 11002985) is benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate is CC(=O)OC[C@H]1CCC[C@@H](COC(C)=O)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate?
The InChIKey is DLSSTTUWXUPLIQ-HDICACEKSA-N. The full InChI is InChI=1S/C19H25NO6/c1-14(21)24-12-17-9-6-10-18(13-25-15(2)22)20(17)19(23)26-11-16-7-4-3-5-8-16/h3-5,7-8,17-18H,6,9-13H2,1-2H3/t17-,18+.
What are the key properties of benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate?
benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R,6S)-2,6-bis(acetyloxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 11002985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).