2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol

C20H25NO5 — CID 72966586

IUPAC2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol
SMILESOCC1C(O)C(O)C(O)CN1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO5/c22-12-17-19(24)20(25)18(23)11-21(17)10-14-6-8-16(9-7-14)26-13-15-4-2-1-3-5-15/h1-9,17-20,22-25H,10-13H2
InChIKeyJXCALVWIRLVTDI-UHFFFAOYSA-N
MW359.42 g/mol
LogP0.52
Rot. Bonds6

About 2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol

2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol (PubChem CID 72966586) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol
PubChem CID72966586
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Name2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol
SMILESOCC1C(O)C(O)C(O)CN1Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO5/c22-12-17-19(24)20(25)18(23)11-21(17)10-14-6-8-16(9-7-14)26-13-15-4-2-1-3-5-15/h1-9,17-20,22-25H,10-13H2
InChIKeyJXCALVWIRLVTDI-UHFFFAOYSA-N
XLogP0.52
TPSA93.39 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R,4R,5S)-1-benzyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 10131235
2-(hydroxymethyl)-1-[(4-phenylphenyl)methyl]piperidine-3,4,5-triol
CID 12852784
(2S,3R,4R,5S)-1-[(4-butoxyphenyl)methyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 11461522
(3S,4R,5R,6R)-1-benzyl-6-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 45101725
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[[4-(2-phenylethenyl)phenyl]methyl]piperidine-3,4,5-triol
CID 90944438
[1-[(4-phenylmethoxyphenyl)methyl]piperidin-2-yl]methanol
CID 23961585
(2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol
CID 10518569
N-[(1R)-1-phenylethyl]-4-[[(2S,3R,4R,5S)-3,4,5-trihydroxy-2-(hydroxymethyl)piperidin-1-yl]methyl]benzamide
CID 58612314
(2S,3S,4R)-1-benzyl-2-(hydroxymethyl)-5-methylidenepiperidine-3,4-diol
CID 51050399
(2S,3R,5S)-2-(hydroxymethyl)-1-[5-[(4-phenylphenyl)methoxy]pentyl]piperidine-3,4,5-triol
CID 118411139
[(2R,3R,4R,5R)-1-benzyl-3,4,5-trihydroxypiperidin-2-yl]methyl 2,2-dimethylpropanoate
CID 102072747
1-benzyl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 67340937

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol (CID 72966586) is 2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol is OCC1C(O)C(O)C(O)CN1Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol?
The InChIKey is JXCALVWIRLVTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c22-12-17-19(24)20(25)18(23)11-21(17)10-14-6-8-16(9-7-14)26-13-15-4-2-1-3-5-15/h1-9,17-20,22-25H,10-13H2.
What are the key properties of 2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol?
2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol has a molecular weight of 359.42 g/mol, XLogP of 0.52, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol is sourced from PubChem (CID 72966586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).