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

C22H42N2O4 — CID 3130416

IUPAC1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
SMILESOC(COC1CCCCC1)CN1CCN(CC(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
InChIKeyBHYJLWDBWXBGLI-UHFFFAOYSA-N
MW398.59 g/mol
LogP2.02
Rot. Bonds10

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

1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol (PubChem CID 3130416) has the molecular formula C22H42N2O4 and a molecular weight of 398.59 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
PubChem CID3130416
Molecular FormulaC22H42N2O4
Molecular Weight398.59 g/mol
Exact Mass398.31
IUPAC Name1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
SMILESOC(COC1CCCCC1)CN1CCN(CC(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
InChIKeyBHYJLWDBWXBGLI-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol (CID 3130416) is 1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol is OC(COC1CCCCC1)CN1CCN(CC(O)COC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
The InChIKey is BHYJLWDBWXBGLI-UHFFFAOYSA-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.
What are the key properties of 1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol?
1-cyclohexyloxy-3-[4-(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 1-cyclohexyloxy-3-[4-(3-cyclohexyloxy-2-hydroxypropyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3130416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).