2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol

C16H25NO2 — CID 11129149

IUPAC2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol
SMILESOCCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C16H25NO2/c18-13-9-15-5-7-16(8-6-15)19-14-4-12-17-10-2-1-3-11-17/h5-8,18H,1-4,9-14H2
InChIKeyXVHUVRGIBWXOLL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.48
Rot. Bonds7

About 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol

2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol (PubChem CID 11129149) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol
PubChem CID11129149
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol
SMILESOCCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C16H25NO2/c18-13-9-15-5-7-16(8-6-15)19-14-4-12-17-10-2-1-3-11-17/h5-8,18H,1-4,9-14H2
InChIKeyXVHUVRGIBWXOLL-UHFFFAOYSA-N
XLogP2.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.48
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 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol (CID 11129149) is 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol is OCCc1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol?
The InChIKey is XVHUVRGIBWXOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-13-9-15-5-7-16(8-6-15)19-14-4-12-17-10-2-1-3-11-17/h5-8,18H,1-4,9-14H2.
What are the key properties of 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol?
2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-piperidin-1-ylpropoxy)phenyl]ethanol is sourced from PubChem (CID 11129149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).