benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate

C16H23NO4 — CID 129394028

IUPACbenzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
SMILESCOCOC[C@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H23NO4/c1-19-13-20-12-15-9-5-6-10-17(15)16(18)21-11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3/t15-/m1/s1
InChIKeyYPGWNITYRFGMST-OAHLLOKOSA-N
MW293.36 g/mol
LogP2.80
Rot. Bonds6

About benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate

benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate (PubChem CID 129394028) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
PubChem CID129394028
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namebenzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
SMILESCOCOC[C@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C16H23NO4/c1-19-13-20-12-15-9-5-6-10-17(15)16(18)21-11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3/t15-/m1/s1
InChIKeyYPGWNITYRFGMST-OAHLLOKOSA-N
XLogP2.80
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate
CID 66563825
benzyl 2-(acetyloxymethyl)piperidine-1-carboxylate
CID 23212404
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl (2S)-2-(2-hydroxypropoxymethyl)pyrrolidine-1-carboxylate
CID 177494316
benzyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]methyl]piperidine-1-carboxylate
CID 129385635
benzyl (2R)-2-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
CID 10956739
benzyl 2-(2-iodoethyl)piperidine-1-carboxylate
CID 138375665
benzyl 2-[(4-methylphenyl)methyl]piperidine-1-carboxylate
CID 101478635
benzyl (2S)-2-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 86319274
2-[ethyl-[[(2S)-1-phenylmethoxycarbonylpiperidin-2-yl]methyl]amino]acetic acid
CID 96552254
benzyl (2R)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 101038867
benzyl (2S)-2-(2-methylpropyl)pyrrolidine-1-carboxylate
CID 58597841

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate (CID 129394028) is benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate is COCOC[C@H]1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate?
The InChIKey is YPGWNITYRFGMST-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23NO4/c1-19-13-20-12-15-9-5-6-10-17(15)16(18)21-11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13H2,1H3/t15-/m1/s1.
What are the key properties of benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate?
benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 129394028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).