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

C16H33NO2 — CID 22215371

IUPAC1-octoxy-1-piperidin-1-ylpropan-2-ol
SMILESCCCCCCCCOC(C(C)O)N1CCCCC1
InChIInChI=1S/C16H33NO2/c1-3-4-5-6-7-11-14-19-16(15(2)18)17-12-9-8-10-13-17/h15-16,18H,3-14H2,1-2H3
InChIKeyDUJZCNLENBLQAB-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.56
Rot. Bonds10

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

1-octoxy-1-piperidin-1-ylpropan-2-ol (PubChem CID 22215371) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 1-octoxy-1-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-octoxy-1-piperidin-1-ylpropan-2-ol
PubChem CID22215371
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name1-octoxy-1-piperidin-1-ylpropan-2-ol
SMILESCCCCCCCCOC(C(C)O)N1CCCCC1
InChIInChI=1S/C16H33NO2/c1-3-4-5-6-7-11-14-19-16(15(2)18)17-12-9-8-10-13-17/h15-16,18H,3-14H2,1-2H3
InChIKeyDUJZCNLENBLQAB-UHFFFAOYSA-N
XLogP3.56
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.56
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-octoxy-1-(propan-2-ylamino)propan-2-ol
CID 146571435
(2R,3R)-3-octoxybutan-2-ol
CID 54496266
1-heptacontoxyethanol
CID 169098461
1-amino-1-octoxypropan-2-ol
CID 174604466
icosoxymethanediol
CID 175975847
1-pentoxyethanol
CID 19598527
1-undecoxybutan-1-ol
CID 139971924
(2-hydroxy-1-pentoxypropyl)-trimethylazanium
CID 174548714
2-amino-3-hexoxy-1-pyrrolidin-1-ylbutan-1-one
CID 21252062
1-(1-hexoxyethoxy)ethanol
CID 22559456
1-dodecan-2-ylpyrrolidine
CID 70871228
1-octoxy-3-piperidin-1-ylpropan-2-ol
CID 566865

Frequently Asked Questions

What is the IUPAC name of 1-octoxy-1-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-octoxy-1-piperidin-1-ylpropan-2-ol (CID 22215371) is 1-octoxy-1-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-octoxy-1-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-octoxy-1-piperidin-1-ylpropan-2-ol is CCCCCCCCOC(C(C)O)N1CCCCC1.
What is the InChIKey of 1-octoxy-1-piperidin-1-ylpropan-2-ol?
The InChIKey is DUJZCNLENBLQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-3-4-5-6-7-11-14-19-16(15(2)18)17-12-9-8-10-13-17/h15-16,18H,3-14H2,1-2H3.
What are the key properties of 1-octoxy-1-piperidin-1-ylpropan-2-ol?
1-octoxy-1-piperidin-1-ylpropan-2-ol has a molecular weight of 271.44 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octoxy-1-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 22215371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).