benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate

C16H23NO4 — CID 66563825

IUPACbenzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCCC1COCCO
InChIInChI=1S/C16H23NO4/c18-10-11-20-13-15-8-4-5-9-17(15)16(19)21-12-14-6-2-1-3-7-14/h1-3,6-7,15,18H,4-5,8-13H2
InChIKeyAOULMAALIMMPDA-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.19
Rot. Bonds6

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

benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate (PubChem CID 66563825) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate
PubChem CID66563825
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namebenzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCCCC1COCCO
InChIInChI=1S/C16H23NO4/c18-10-11-20-13-15-8-4-5-9-17(15)16(19)21-12-14-6-2-1-3-7-14/h1-3,6-7,15,18H,4-5,8-13H2
InChIKeyAOULMAALIMMPDA-UHFFFAOYSA-N
XLogP2.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2R)-2-(methoxymethoxymethyl)piperidine-1-carboxylate
CID 129394028
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 (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 96552293
2-[(1-phenylmethoxycarbonylpiperidin-2-yl)methylsulfanyl]acetic acid
CID 66564501
benzyl 2-(pyridin-3-yloxymethyl)piperidine-1-carboxylate
CID 147274685
benzyl (2S)-2-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 96552602
sodium (1-phenylmethoxycarbonylpiperidin-2-yl)methanesulfinate
CID 165454151

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate (CID 66563825) is benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCCCC1COCCO.
What is the InChIKey of benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate?
The InChIKey is AOULMAALIMMPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c18-10-11-20-13-15-8-4-5-9-17(15)16(19)21-12-14-6-2-1-3-7-14/h1-3,6-7,15,18H,4-5,8-13H2.
What are the key properties of benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate?
benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate is sourced from PubChem (CID 66563825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).