1-hexoxy-3-piperidin-1-ylpropan-2-ol

C14H29NO2 — CID 566886

IUPAC1-hexoxy-3-piperidin-1-ylpropan-2-ol
SMILESCCCCCCOCC(O)CN1CCCCC1
InChIInChI=1S/C14H29NO2/c1-2-3-4-8-11-17-13-14(16)12-15-9-6-5-7-10-15/h14,16H,2-13H2,1H3
InChIKeyDRKOOVNYLXDFSO-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.43
Rot. Bonds9

About 1-hexoxy-3-piperidin-1-ylpropan-2-ol

1-hexoxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 566886) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-hexoxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-hexoxy-3-piperidin-1-ylpropan-2-ol
PubChem CID566886
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-hexoxy-3-piperidin-1-ylpropan-2-ol
SMILESCCCCCCOCC(O)CN1CCCCC1
InChIInChI=1S/C14H29NO2/c1-2-3-4-8-11-17-13-14(16)12-15-9-6-5-7-10-15/h14,16H,2-13H2,1H3
InChIKeyDRKOOVNYLXDFSO-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Butoxy-3-(morpholin-4-yl)propan-2-ol
CID 215187
[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
2-Propanol, 3-(1-piperidyl)-1-propoxy-
CID 566887
3-(2-Methylcyclopentyloxy)-1-piperidylpropan-2-ol
CID 16456363
1-(Cyclohexyloxy)-3-(2,6-dimethyl-4-morpholinyl)-2-propanol hydrochloride
CID 18592780
1-(Cyclopentyloxy)-3-(2,6-dimethylpiperidin-1-yl)propan-2-ol hydrochloride
CID 16876974
3-(Cyclopentyloxy)-1-(2,6-dimethyl-4-morpholinyl)-2-propanol
CID 16876977
1-(Cyclopentyloxy)-3-(2-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 16876978
1-Butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol hydrochloride
CID 16958271
1-Butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol
CID 16958272

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-hexoxy-3-piperidin-1-ylpropan-2-ol (CID 566886) is 1-hexoxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-hexoxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-hexoxy-3-piperidin-1-ylpropan-2-ol is CCCCCCOCC(O)CN1CCCCC1.
What is the InChIKey of 1-hexoxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is DRKOOVNYLXDFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-2-3-4-8-11-17-13-14(16)12-15-9-6-5-7-10-15/h14,16H,2-13H2,1H3.
What are the key properties of 1-hexoxy-3-piperidin-1-ylpropan-2-ol?
1-hexoxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 566886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).