(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol

C22H42N2O4 — CID 1120303

IUPAC(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESO[C@@H](COC1CCCCC1)CN1CCN(C[C@@H](O)COC2CCCCC2)CC1
InChIInChI=1S/C22H42N2O4/c25-19(17-27-21-7-3-1-4-8-21)15-23-11-13-24(14-12-23)16-20(26)18-28-22-9-5-2-6-10-22/h19-22,25-26H,1-18H2/t19-,20-/m1/s1
InChIKeyBHYJLWDBWXBGLI-WOJBJXKFSA-N
MW398.59 g/mol
LogP2.02
Rot. Bonds10

About (2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol

(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (PubChem CID 1120303) has the molecular formula C22H42N2O4 and a molecular weight of 398.59 g/mol. Its IUPAC name is (2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
PubChem CID1120303
Molecular FormulaC22H42N2O4
Molecular Weight398.59 g/mol
Exact Mass398.31
IUPAC Name(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
SMILESO[C@@H](COC1CCCCC1)CN1CCN(C[C@@H](O)COC2CCCCC2)CC1
InChIInChI=1S/C22H42N2O4/c25-19(17-27-21-7-3-1-4-8-21)15-23-11-13-24(14-12-23)16-20(26)18-28-22-9-5-2-6-10-22/h19-22,25-26H,1-18H2/t19-,20-/m1/s1
InChIKeyBHYJLWDBWXBGLI-WOJBJXKFSA-N
XLogP2.02
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.59
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

3-Cyclohexyloxy-1-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazinyl]propan-2-ol
CID 3130416
1-Cyclohexyloxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 18592783
1-Cyclohexyloxy-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 44782553
1-Cyclohexyloxy-3-(4-ethylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 44782589
1-Hexadecoxy-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 13037792
1-Dodecoxy-3-[4-(3-dodecoxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 86269949
1-Cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane
CID 90968737
1-[6-(2-Hydroxy-3-piperidin-1-ylpropoxy)hexoxy]-3-piperidin-1-ylpropan-2-ol
CID 144271013
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-octoxypropan-2-ol
CID 153447714
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-octadecoxypropan-2-ol
CID 155602720
1-Cyclohexyloxy-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;methane
CID 158958248
1-[Ethyl(3-morpholin-4-ylpropyl)amino]-3-[6-(2-hydroxypropoxy)hexoxy]propan-2-ol
CID 172090905

Frequently Asked Questions

What is the IUPAC name of (2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol (CID 1120303) is (2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is O[C@@H](COC1CCCCC1)CN1CCN(C[C@@H](O)COC2CCCCC2)CC1.
What is the InChIKey of (2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
The InChIKey is BHYJLWDBWXBGLI-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H42N2O4/c25-19(17-27-21-7-3-1-4-8-21)15-23-11-13-24(14-12-23)16-20(26)18-28-22-9-5-2-6-10-22/h19-22,25-26H,1-18H2/t19-,20-/m1/s1.
What are the key properties of (2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol?
(2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol has a molecular weight of 398.59 g/mol, XLogP of 2.02, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-cyclohexyloxy-3-[4-[(2R)-3-cyclohexyloxy-2-hydroxypropyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 1120303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).