1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane

C18H39NO2 — CID 90968737

IUPAC1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane
SMILESCC.CC.OC(COC1CCCCC1)CN1CCCCC1
InChIInChI=1S/C14H27NO2.2C2H6/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14;2*1-2/h13-14,16H,1-12H2;2*1-2H3
InChIKeyGCPQSUPJILUFJV-UHFFFAOYSA-N
MW301.51 g/mol
LogP4.23
Rot. Bonds5

About 1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane

1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane (PubChem CID 90968737) has the molecular formula C18H39NO2 and a molecular weight of 301.51 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane.

Molecular Properties

Compound Name1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane
PubChem CID90968737
Molecular FormulaC18H39NO2
Molecular Weight301.51 g/mol
Exact Mass301.30
IUPAC Name1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane
SMILESCC.CC.OC(COC1CCCCC1)CN1CCCCC1
InChIInChI=1S/C14H27NO2.2C2H6/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14;2*1-2/h13-14,16H,1-12H2;2*1-2H3
InChIKeyGCPQSUPJILUFJV-UHFFFAOYSA-N
XLogP4.23
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.51
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Ethoxy-3-hexadecyloxypropyl)-4-hydroxy-1-methyl-piperidinium iodide
CID 452116
[1-(2-Ethoxy-3-hexadecoxypropyl)piperidin-1-ium-1-yl]methanol iodide
CID 44278501
2-Propanol, 1-cyclohexyloxy-(1-piperidyl)-
CID 566776
1-Butoxy-3-(piperidin-1-yl)propan-2-ol
CID 566700
1-(2-Ethoxy-3-octadecoxypropyl)-1-methylpiperidin-1-ium-4-ol bromide
CID 372658
(3R,4S,5R)-5-dodecoxy-1-dodecylpiperidine-3,4-diol
CID 132961374
(3R,4S,5S)-5-dodecoxy-1-dodecylpiperidine-3,4-diol
CID 137649788
2-Propanol, 3-(1-piperidyl)-1-propoxy-
CID 566887
1-(Cyclohexyloxy)-3-(2,6-dimethyl-4-morpholinyl)-2-propanol hydrochloride
CID 18592780
1-(Cyclohexyloxy)-3-(2,6-dimethylmorpholino)propan-2-ol hydrochloride
CID 18592779
1-(3-(Cyclohexyloxy)-2-hydroxypropyl)-2,2,6,6-tetramethylpiperidin-4-ol
CID 18592787
1-Isopropoxy-3-(1-piperidinyl)-2-propanol hydrochloride
CID 2945868

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane?
The IUPAC name of 1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane (CID 90968737) is 1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane.
What is the SMILES notation for 1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane?
The canonical SMILES for 1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane is CC.CC.OC(COC1CCCCC1)CN1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane?
The InChIKey is GCPQSUPJILUFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2.2C2H6/c16-13(11-15-9-5-2-6-10-15)12-17-14-7-3-1-4-8-14;2*1-2/h13-14,16H,1-12H2;2*1-2H3.
What are the key properties of 1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane?
1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane has a molecular weight of 301.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-piperidin-1-ylpropan-2-ol;ethane is sourced from PubChem (CID 90968737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).