(3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol

C15H25NO3 — CID 157039749

IUPAC(3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol
SMILESCC1=C(CCN2C[C@H](O)C(O)C[C@@H]2CO)C=CCC1
InChIInChI=1S/C15H25NO3/c1-11-4-2-3-5-12(11)6-7-16-9-15(19)14(18)8-13(16)10-17/h3,5,13-15,17-19H,2,4,6-10H2,1H3/t13-,14?,15+/m1/s1
InChIKeyLUXMNTXXVNFXHD-LOWNFYCTSA-N
MW267.37 g/mol
LogP0.83
Rot. Bonds4

About (3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol

(3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol (PubChem CID 157039749) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is (3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol.

Molecular Properties

Compound Name(3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol
PubChem CID157039749
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name(3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol
SMILESCC1=C(CCN2C[C@H](O)C(O)C[C@@H]2CO)C=CCC1
InChIInChI=1S/C15H25NO3/c1-11-4-2-3-5-12(11)6-7-16-9-15(19)14(18)8-13(16)10-17/h3,5,13-15,17-19H,2,4,6-10H2,1H3/t13-,14?,15+/m1/s1
InChIKeyLUXMNTXXVNFXHD-LOWNFYCTSA-N
XLogP0.83
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol with MolForge

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(Z)-non-6-enyl]piperidine-3,4,5-triol
CID 60170434
(3S,6R)-1-[2-(2,6-difluorocyclohexa-1,5-dien-1-yl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol
CID 157039396
(3S,6R)-1-[2-(2-fluorocyclohexa-1,5-dien-1-yl)ethyl]-6-(hydroxymethyl)piperidine-3,4-diol
CID 157039953
(E,E)-1,5-Dideoxy-1,5-(hexa-2,4-dien-1-ylimino)-D-glucitol
CID 71300562
1-Hexa-2,4-dienyl-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 91980326
(3R,4R,5S)-1-[(2E,4E)-hexa-2,4-dienyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 139598074
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[[1-methyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidine-3,4,5-triol
CID 162620780
(2R,3R,4R,5S)-1-[4-(cyclohexen-1-yl)butyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 57574463
(2S,6R)-4-(hydroxymethyl)-6-(2-methylpiperidin-1-yl)cyclohex-4-ene-1,2,3-triol
CID 58618648
1-(Cyclohexa-1,3-dien-1-ylmethyl)-1-methoxy-6-methylpiperidin-1-ium-3-ol
CID 90969510
1-(Cyclohexa-1,5-dien-1-ylmethyl)-1-methoxy-6-methylpiperidin-1-ium-3-ol
CID 91218835
(2R,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]piperidine-3,4,5-triol
CID 135302845

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol?
The IUPAC name of (3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol (CID 157039749) is (3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol.
What is the SMILES notation for (3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol?
The canonical SMILES for (3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol is CC1=C(CCN2C[C@H](O)C(O)C[C@@H]2CO)C=CCC1.
What is the InChIKey of (3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol?
The InChIKey is LUXMNTXXVNFXHD-LOWNFYCTSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-4-2-3-5-12(11)6-7-16-9-15(19)14(18)8-13(16)10-17/h3,5,13-15,17-19H,2,4,6-10H2,1H3/t13-,14?,15+/m1/s1.
What are the key properties of (3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol?
(3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol has a molecular weight of 267.37 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-(hydroxymethyl)-1-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidine-3,4-diol is sourced from PubChem (CID 157039749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).