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

C26H36N2O — CID 73356714

IUPAC1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine
SMILESc1cc(CN2CCCCC2)cc(-c2ccc(OCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C26H36N2O/c1-3-15-27(16-4-1)19-8-20-29-26-13-11-24(12-14-26)25-10-7-9-23(21-25)22-28-17-5-2-6-18-28/h7,9-14,21H,1-6,8,15-20,22H2
InChIKeyLICGJXJKGKUTSY-UHFFFAOYSA-N
MW392.59 g/mol
LogP5.59
Rot. Bonds8

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

1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine (PubChem CID 73356714) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine
PubChem CID73356714
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine
SMILESc1cc(CN2CCCCC2)cc(-c2ccc(OCCCN3CCCCC3)cc2)c1
InChIInChI=1S/C26H36N2O/c1-3-15-27(16-4-1)19-8-20-29-26-13-11-24(12-14-26)25-10-7-9-23(21-25)22-28-17-5-2-6-18-28/h7,9-14,21H,1-6,8,15-20,22H2
InChIKeyLICGJXJKGKUTSY-UHFFFAOYSA-N
XLogP5.59
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 55.59
H-Bond Donors ≤ 50
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-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine (CID 73356714) is 1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine is c1cc(CN2CCCCC2)cc(-c2ccc(OCCCN3CCCCC3)cc2)c1.
What is the InChIKey of 1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine?
The InChIKey is LICGJXJKGKUTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-3-15-27(16-4-1)19-8-20-29-26-13-11-24(12-14-26)25-10-7-9-23(21-25)22-28-17-5-2-6-18-28/h7,9-14,21H,1-6,8,15-20,22H2.
What are the key properties of 1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine?
1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine has a molecular weight of 392.59 g/mol, XLogP of 5.59, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[3-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine is sourced from PubChem (CID 73356714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).