(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane

C16H33NO3 — CID 157039479

IUPAC(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane
SMILESCCC.OC[C@H]1CC(O)[C@@H](O)CN1CC1CCCCC1
InChIInChI=1S/C13H25NO3.C3H8/c15-9-11-6-12(16)13(17)8-14(11)7-10-4-2-1-3-5-10;1-3-2/h10-13,15-17H,1-9H2;3H2,1-2H3/t11-,12?,13+;/m1./s1
InChIKeyPMQAWZATFHRZNF-CSYBZOQDSA-N
MW287.44 g/mol
LogP1.77
Rot. Bonds3

About (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane

(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane (PubChem CID 157039479) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane.

Molecular Properties

Compound Name(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane
PubChem CID157039479
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Name(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane
SMILESCCC.OC[C@H]1CC(O)[C@@H](O)CN1CC1CCCCC1
InChIInChI=1S/C13H25NO3.C3H8/c15-9-11-6-12(16)13(17)8-14(11)7-10-4-2-1-3-5-10;1-3-2/h10-13,15-17H,1-9H2;3H2,1-2H3/t11-,12?,13+;/m1./s1
InChIKeyPMQAWZATFHRZNF-CSYBZOQDSA-N
XLogP1.77
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-Dodecyl-1-deoxynojirimycin
CID 9818954
Osl-95II
CID 16066800
(2R,3R,4R,5S)-1-(4-cyclohexylbutyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 503977
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-[(2R)-2-methylcyclohexoxy]hexyl]piperidine-3,4,5-triol
CID 52936275
(2R,3R,4R,5S)-1-[6-(3,4-dimethylcyclohexyl)oxyhexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 60168108
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(3-methylcyclohexyl)oxyhexyl]piperidine-3,4,5-triol
CID 60170073
(2R,3R,4R,5S)-1-[6-(4-ethylcyclohexyl)oxyhexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 60170075
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(2-propylcyclohexyl)oxyhexyl]piperidine-3,4,5-triol
CID 60170076
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(3,3,5-trimethylcyclohexyl)oxyhexyl]piperidine-3,4,5-triol
CID 60170079
(2R,3R,4R,5S)-1-[5-(cyclohexylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 118719880
(2S,3R,4R,5S)-1-[5-(cyclohexylmethoxy)pentyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 118719890
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-(4-methylcyclohexoxy)hexyl]piperidine-3,4,5-triol
CID 45137161

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane?
The IUPAC name of (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane (CID 157039479) is (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane.
What is the SMILES notation for (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane?
The canonical SMILES for (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane is CCC.OC[C@H]1CC(O)[C@@H](O)CN1CC1CCCCC1.
What is the InChIKey of (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane?
The InChIKey is PMQAWZATFHRZNF-CSYBZOQDSA-N. The full InChI is InChI=1S/C13H25NO3.C3H8/c15-9-11-6-12(16)13(17)8-14(11)7-10-4-2-1-3-5-10;1-3-2/h10-13,15-17H,1-9H2;3H2,1-2H3/t11-,12?,13+;/m1./s1.
What are the key properties of (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane?
(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane has a molecular weight of 287.44 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;propane is sourced from PubChem (CID 157039479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).