3-(4-octylpiperidin-1-yl)propan-1-ol

C16H33NO — CID 23328915

IUPAC3-(4-octylpiperidin-1-yl)propan-1-ol
SMILESCCCCCCCCC1CCN(CCCO)CC1
InChIInChI=1S/C16H33NO/c1-2-3-4-5-6-7-9-16-10-13-17(14-11-16)12-8-15-18/h16,18H,2-15H2,1H3
InChIKeySOCAMAHABAXNLB-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.83
Rot. Bonds10

About 3-(4-octylpiperidin-1-yl)propan-1-ol

3-(4-octylpiperidin-1-yl)propan-1-ol (PubChem CID 23328915) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-(4-octylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-octylpiperidin-1-yl)propan-1-ol
PubChem CID23328915
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name3-(4-octylpiperidin-1-yl)propan-1-ol
SMILESCCCCCCCCC1CCN(CCCO)CC1
InChIInChI=1S/C16H33NO/c1-2-3-4-5-6-7-9-16-10-13-17(14-11-16)12-8-15-18/h16,18H,2-15H2,1H3
InChIKeySOCAMAHABAXNLB-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-octylpiperidin-1-yl)propan-1-ol?
The IUPAC name of 3-(4-octylpiperidin-1-yl)propan-1-ol (CID 23328915) is 3-(4-octylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-octylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-octylpiperidin-1-yl)propan-1-ol is CCCCCCCCC1CCN(CCCO)CC1.
What is the InChIKey of 3-(4-octylpiperidin-1-yl)propan-1-ol?
The InChIKey is SOCAMAHABAXNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-2-3-4-5-6-7-9-16-10-13-17(14-11-16)12-8-15-18/h16,18H,2-15H2,1H3.
What are the key properties of 3-(4-octylpiperidin-1-yl)propan-1-ol?
3-(4-octylpiperidin-1-yl)propan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.83, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-octylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 23328915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).