4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol

C21H35NO2 — CID 11978735

IUPAC4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol
SMILESCCCC(O)(CCC)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C21H35NO2/c1-3-13-21(23,14-4-2)19-9-11-20(12-10-19)24-18-8-17-22-15-6-5-7-16-22/h9-12,23H,3-8,13-18H2,1-2H3
InChIKeyPETWWIOECLOXGN-UHFFFAOYSA-N
MW333.52 g/mol
LogP4.73
Rot. Bonds10

About 4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol

4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol (PubChem CID 11978735) has the molecular formula C21H35NO2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol.

Molecular Properties

Compound Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol
PubChem CID11978735
Molecular FormulaC21H35NO2
Molecular Weight333.52 g/mol
Exact Mass333.27
IUPAC Name4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol
SMILESCCCC(O)(CCC)c1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C21H35NO2/c1-3-13-21(23,14-4-2)19-9-11-20(12-10-19)24-18-8-17-22-15-6-5-7-16-22/h9-12,23H,3-8,13-18H2,1-2H3
InChIKeyPETWWIOECLOXGN-UHFFFAOYSA-N
XLogP4.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 54.73
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 4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol?
The IUPAC name of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol (CID 11978735) is 4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol.
What is the SMILES notation for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol?
The canonical SMILES for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol is CCCC(O)(CCC)c1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol?
The InChIKey is PETWWIOECLOXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO2/c1-3-13-21(23,14-4-2)19-9-11-20(12-10-19)24-18-8-17-22-15-6-5-7-16-22/h9-12,23H,3-8,13-18H2,1-2H3.
What are the key properties of 4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol?
4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol has a molecular weight of 333.52 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-piperidin-1-ylpropoxy)phenyl]heptan-4-ol is sourced from PubChem (CID 11978735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).