(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane

C17H35NO3 — CID 157039846

IUPAC(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane
SMILESCC(C)C.OC[C@H]1CC(O)[C@@H](O)CN1CC1CCCCC1
InChIInChI=1S/C13H25NO3.C4H10/c15-9-11-6-12(16)13(17)8-14(11)7-10-4-2-1-3-5-10;1-4(2)3/h10-13,15-17H,1-9H2;4H,1-3H3/t11-,12?,13+;/m1./s1
InChIKeyAOPDVAFXHYMPBI-CSYBZOQDSA-N
MW301.47 g/mol
LogP2.02
Rot. Bonds3

About (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane

(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane (PubChem CID 157039846) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane.

Molecular Properties

Compound Name(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane
PubChem CID157039846
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Name(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane
SMILESCC(C)C.OC[C@H]1CC(O)[C@@H](O)CN1CC1CCCCC1
InChIInChI=1S/C13H25NO3.C4H10/c15-9-11-6-12(16)13(17)8-14(11)7-10-4-2-1-3-5-10;1-4(2)3/h10-13,15-17H,1-9H2;4H,1-3H3/t11-,12?,13+;/m1./s1
InChIKeyAOPDVAFXHYMPBI-CSYBZOQDSA-N
XLogP2.02
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 52.02
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;2-methylpropane?
The IUPAC name of (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane (CID 157039846) is (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane.
What is the SMILES notation for (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane?
The canonical SMILES for (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane is CC(C)C.OC[C@H]1CC(O)[C@@H](O)CN1CC1CCCCC1.
What is the InChIKey of (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane?
The InChIKey is AOPDVAFXHYMPBI-CSYBZOQDSA-N. The full InChI is InChI=1S/C13H25NO3.C4H10/c15-9-11-6-12(16)13(17)8-14(11)7-10-4-2-1-3-5-10;1-4(2)3/h10-13,15-17H,1-9H2;4H,1-3H3/t11-,12?,13+;/m1./s1.
What are the key properties of (3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane?
(3S,6R)-1-(cyclohexylmethyl)-6-(hydroxymethyl)piperidine-3,4-diol;2-methylpropane has a molecular weight of 301.47 g/mol, XLogP of 2.02, 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;2-methylpropane is sourced from PubChem (CID 157039846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).