1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine

C31H46N2O2 — CID 73356715

IUPAC1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine
SMILESc1cc(OCCCN2CCCCC2)ccc1CCCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C31H46N2O2/c1-3-20-32(21-4-1)24-8-26-34-30-16-12-28(13-17-30)10-7-11-29-14-18-31(19-15-29)35-27-9-25-33-22-5-2-6-23-33/h12-19H,1-11,20-27H2
InChIKeyLUHSSVFDEXUDFO-UHFFFAOYSA-N
MW478.72 g/mol
LogP6.37
Rot. Bonds14

About 1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine

1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine (PubChem CID 73356715) has the molecular formula C31H46N2O2 and a molecular weight of 478.72 g/mol. Its IUPAC name is 1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine
PubChem CID73356715
Molecular FormulaC31H46N2O2
Molecular Weight478.72 g/mol
Exact Mass478.36
IUPAC Name1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine
SMILESc1cc(OCCCN2CCCCC2)ccc1CCCc1ccc(OCCCN2CCCCC2)cc1
InChIInChI=1S/C31H46N2O2/c1-3-20-32(21-4-1)24-8-26-34-30-16-12-28(13-17-30)10-7-11-29-14-18-31(19-15-29)35-27-9-25-33-22-5-2-6-23-33/h12-19H,1-11,20-27H2
InChIKeyLUHSSVFDEXUDFO-UHFFFAOYSA-N
XLogP6.37
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.72
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine (CID 73356715) is 1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine is c1cc(OCCCN2CCCCC2)ccc1CCCc1ccc(OCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine?
The InChIKey is LUHSSVFDEXUDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2O2/c1-3-20-32(21-4-1)24-8-26-34-30-16-12-28(13-17-30)10-7-11-29-14-18-31(19-15-29)35-27-9-25-33-22-5-2-6-23-33/h12-19H,1-11,20-27H2.
What are the key properties of 1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine?
1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine has a molecular weight of 478.72 g/mol, XLogP of 6.37, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3-[4-(3-piperidin-1-ylpropoxy)phenyl]propyl]phenoxy]propyl]piperidine is sourced from PubChem (CID 73356715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).