(2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol

C14H20N2O4 — CID 137007065

IUPAC(2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol
SMILESOC[C@H]1N/C(=N\CCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H20N2O4/c17-8-10-11(18)12(19)13(20)14(16-10)15-7-6-9-4-2-1-3-5-9/h1-5,10-13,17-20H,6-8H2,(H,15,16)/t10-,11+,12+,13-/m1/s1
InChIKeyAHZGXCNCDNASLZ-MROQNXINSA-N
MW280.32 g/mol
LogP-1.33
Rot. Bonds4

About (2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol

(2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol (PubChem CID 137007065) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol
PubChem CID137007065
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol
SMILESOC[C@H]1N/C(=N\CCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H20N2O4/c17-8-10-11(18)12(19)13(20)14(16-10)15-7-6-9-4-2-1-3-5-9/h1-5,10-13,17-20H,6-8H2,(H,15,16)/t10-,11+,12+,13-/m1/s1
InChIKeyAHZGXCNCDNASLZ-MROQNXINSA-N
XLogP-1.33
TPSA105.31 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-1.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino]butylazanium
CID 135797423
(3S,4R,5R)-2-benzyl-6-(hydroxymethyl)piperidine-3,4,5-triol
CID 163609613
(4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 172642030
3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 5018466
(4R,6R)-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209097
N-(2-phenylethyl)-4-propan-2-yl-1,3-thiazinan-2-imine
CID 136993316
N-(2-phenylethyl)-1,4,4a,5,6,7,8,8a-octahydrobenzo[d][1,3]thiazin-2-imine
CID 136746896
1,1-dideuterio-2-phenyl(113C)ethanol
CID 10419181
(2R,3S,4R,5R,6R)-2-benzyl-6-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3S,5R,6R)-2,6-bis(hydroxymethyl)piperidine-3,4,5-triol;(2R,3S,4R,5R,6R)-2-butyl-6-(hydroxymethyl)piperidine-3,4,5-triol;(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-nonylpiperidine-3,4,5-triol
CID 161473437
6-(hydroxymethyl)-2-(phenylmethoxyamino)-1,4,5,6-tetrahydropyrimidine-4,5-diol
CID 75094325
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol (CID 137007065) is (2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol is OC[C@H]1N/C(=N\CCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol?
The InChIKey is AHZGXCNCDNASLZ-MROQNXINSA-N. The full InChI is InChI=1S/C14H20N2O4/c17-8-10-11(18)12(19)13(20)14(16-10)15-7-6-9-4-2-1-3-5-9/h1-5,10-13,17-20H,6-8H2,(H,15,16)/t10-,11+,12+,13-/m1/s1.
What are the key properties of (2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol?
(2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol has a molecular weight of 280.32 g/mol, XLogP of -1.33, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-(hydroxymethyl)-6-(2-phenylethylimino)piperidine-3,4,5-triol is sourced from PubChem (CID 137007065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).