1-octoxy-3-piperidin-1-ylpropan-2-ol

C16H33NO2 — CID 566865

IUPAC1-octoxy-3-piperidin-1-ylpropan-2-ol
SMILESCCCCCCCCOCC(O)CN1CCCCC1
InChIInChI=1S/C16H33NO2/c1-2-3-4-5-6-10-13-19-15-16(18)14-17-11-8-7-9-12-17/h16,18H,2-15H2,1H3
InChIKeyDYOVFCMYGQMCMN-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.21
Rot. Bonds11

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

1-octoxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 566865) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-octoxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-octoxy-3-piperidin-1-ylpropan-2-ol
PubChem CID566865
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-octoxy-3-piperidin-1-ylpropan-2-ol
SMILESCCCCCCCCOCC(O)CN1CCCCC1
InChIInChI=1S/C16H33NO2/c1-2-3-4-5-6-10-13-19-15-16(18)14-17-11-8-7-9-12-17/h16,18H,2-15H2,1H3
InChIKeyDYOVFCMYGQMCMN-UHFFFAOYSA-N
XLogP3.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.21
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-octadeca-9,12-dienoxy-3-pyrrolidin-1-ylpropan-2-ol
CID 68662689
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
1-butoxy-3-(1,1-dioxo-1,4-thiazepan-4-yl)propan-2-ol
CID 107271874
1-(3-butoxy-2-hydroxypropyl)-4-methylazepan-4-ol
CID 107407215
1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 107264000
1-(3-butoxy-2-hydroxypropyl)piperidine-4-carbaldehyde
CID 107264386
10-(2-hydroxy-3-octoxypropyl)-1,4,7,10-tetrazacyclododecane-2,6-dione
CID 102270866
1-butoxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16958263
(2S)-1-piperidin-1-yl-3-[2-(2-piperidin-1-ylethoxy)ethoxy]propan-2-ol
CID 40530981
1-dodecoxy-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 13037800
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-butoxypropan-2-ol
CID 107263746
(2R)-1-hexoxy-3-[2-(2-hexoxyethoxy)ethoxy]propan-2-ol
CID 40535127

Frequently Asked Questions

What is the IUPAC name of 1-octoxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-octoxy-3-piperidin-1-ylpropan-2-ol (CID 566865) is 1-octoxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-octoxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-octoxy-3-piperidin-1-ylpropan-2-ol is CCCCCCCCOCC(O)CN1CCCCC1.
What is the InChIKey of 1-octoxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is DYOVFCMYGQMCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-2-3-4-5-6-10-13-19-15-16(18)14-17-11-8-7-9-12-17/h16,18H,2-15H2,1H3.
What are the key properties of 1-octoxy-3-piperidin-1-ylpropan-2-ol?
1-octoxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 3.21, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octoxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 566865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).