1-pentoxy-3-piperidin-1-ylpropan-2-ol

C13H27NO2 — CID 13348017

IUPAC1-pentoxy-3-piperidin-1-ylpropan-2-ol
SMILESCCCCCOCC(O)CN1CCCCC1
InChIInChI=1S/C13H27NO2/c1-2-3-7-10-16-12-13(15)11-14-8-5-4-6-9-14/h13,15H,2-12H2,1H3
InChIKeyWUGMVKUXFVFEBY-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.04
Rot. Bonds8

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

1-pentoxy-3-piperidin-1-ylpropan-2-ol (PubChem CID 13348017) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-pentoxy-3-piperidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-pentoxy-3-piperidin-1-ylpropan-2-ol
PubChem CID13348017
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-pentoxy-3-piperidin-1-ylpropan-2-ol
SMILESCCCCCOCC(O)CN1CCCCC1
InChIInChI=1S/C13H27NO2/c1-2-3-7-10-16-12-13(15)11-14-8-5-4-6-9-14/h13,15H,2-12H2,1H3
InChIKeyWUGMVKUXFVFEBY-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.04
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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Frequently Asked Questions

What is the IUPAC name of 1-pentoxy-3-piperidin-1-ylpropan-2-ol?
The IUPAC name of 1-pentoxy-3-piperidin-1-ylpropan-2-ol (CID 13348017) is 1-pentoxy-3-piperidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-pentoxy-3-piperidin-1-ylpropan-2-ol?
The canonical SMILES for 1-pentoxy-3-piperidin-1-ylpropan-2-ol is CCCCCOCC(O)CN1CCCCC1.
What is the InChIKey of 1-pentoxy-3-piperidin-1-ylpropan-2-ol?
The InChIKey is WUGMVKUXFVFEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-3-7-10-16-12-13(15)11-14-8-5-4-6-9-14/h13,15H,2-12H2,1H3.
What are the key properties of 1-pentoxy-3-piperidin-1-ylpropan-2-ol?
1-pentoxy-3-piperidin-1-ylpropan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentoxy-3-piperidin-1-ylpropan-2-ol is sourced from PubChem (CID 13348017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).