(2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol

C14H21NO4 — CID 10518569

IUPAC(2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol
SMILESCO[C@H]1CN(Cc2ccccc2)[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H21NO4/c1-19-12-8-15(7-10-5-3-2-4-6-10)11(9-16)13(17)14(12)18/h2-6,11-14,16-18H,7-9H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKeyUZZDPSVKAVSSSE-ZOBORPQBSA-N
MW267.32 g/mol
LogP-0.40
Rot. Bonds4

About (2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol

(2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol (PubChem CID 10518569) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol
PubChem CID10518569
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol
SMILESCO[C@H]1CN(Cc2ccccc2)[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H21NO4/c1-19-12-8-15(7-10-5-3-2-4-6-10)11(9-16)13(17)14(12)18/h2-6,11-14,16-18H,7-9H2,1H3/t11-,12+,13+,14-/m1/s1
InChIKeyUZZDPSVKAVSSSE-ZOBORPQBSA-N
XLogP-0.40
TPSA73.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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
2-(hydroxymethyl)-1-[(4-phenylmethoxyphenyl)methyl]piperidine-3,4,5-triol
CID 72966586
(3S,4R,5R,6R)-1-benzyl-6-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 45101725
(2S,3S,4R)-1-benzyl-2-(hydroxymethyl)-5-methylidenepiperidine-3,4-diol
CID 51050399
(2S,3R,4R,5S)-2-(hydroxymethyl)-1-[[4-(2-phenylethenyl)phenyl]methyl]piperidine-3,4,5-triol
CID 90944438
3-[1-benzyl-4-hydroxy-5-(hydroxymethyl)pyrrolidin-3-yl]but-3-en-2-one
CID 123675644
1-butyl-2-(hydroxymethyl)-5-phenylmethoxypiperidine-3,4-diol
CID 175678790
1-benzyl-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 67340937
(3-benzyl-3-azabicyclo[3.1.0]hexan-2-yl)methanol;ethanol
CID 67789671
(2R,3S)-1-benzyl-2-(hydroxymethyl)pyrrolidin-3-ol
CID 10998222
1-benzyl-3-methoxypiperidin-4-ol
CID 54277205

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol?
The IUPAC name of (2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol (CID 10518569) is (2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol.
What is the SMILES notation for (2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol?
The canonical SMILES for (2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol is CO[C@H]1CN(Cc2ccccc2)[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol?
The InChIKey is UZZDPSVKAVSSSE-ZOBORPQBSA-N. The full InChI is InChI=1S/C14H21NO4/c1-19-12-8-15(7-10-5-3-2-4-6-10)11(9-16)13(17)14(12)18/h2-6,11-14,16-18H,7-9H2,1H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of (2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol?
(2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol has a molecular weight of 267.32 g/mol, XLogP of -0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-1-benzyl-2-(hydroxymethyl)-5-methoxypiperidine-3,4-diol is sourced from PubChem (CID 10518569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).