1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol

C14H28NO2+ — CID 78589015

IUPAC1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol
SMILESOC(COC1CCCCC1)C[NH+]1CCCCC1
InChIInChI=1S/C14H27NO2/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14/h13-14,16H,1-12H2/p+1
InChIKeyYSZZOQBXFZDODB-UHFFFAOYSA-O
MW242.38 g/mol
LogP0.77
Rot. Bonds5

About 1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol

1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol (PubChem CID 78589015) has the molecular formula C14H28NO2+ and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol
PubChem CID78589015
Molecular FormulaC14H28NO2+
Molecular Weight242.38 g/mol
Exact Mass242.21
IUPAC Name1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol
SMILESOC(COC1CCCCC1)C[NH+]1CCCCC1
InChIInChI=1S/C14H27NO2/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14/h13-14,16H,1-12H2/p+1
InChIKeyYSZZOQBXFZDODB-UHFFFAOYSA-O
XLogP0.77
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol (CID 78589015) is 1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol is OC(COC1CCCCC1)C[NH+]1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol?
The InChIKey is YSZZOQBXFZDODB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H27NO2/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14/h13-14,16H,1-12H2/p+1.
What are the key properties of 1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol?
1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol has a molecular weight of 242.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-piperidin-1-ium-1-ylpropan-2-ol is sourced from PubChem (CID 78589015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).