1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine

C26H36N2O — CID 10178641

IUPAC1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine
SMILESc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)c(CN2CCCCC2)c1
InChIInChI=1S/C26H36N2O/c1-5-16-27(17-6-1)20-9-21-29-25-14-12-23(13-15-25)26-11-4-3-10-24(26)22-28-18-7-2-8-19-28/h3-4,10-15H,1-2,5-9,16-22H2
InChIKeyREJHWHKAYIUXPP-UHFFFAOYSA-N
MW392.59 g/mol
LogP5.59
Rot. Bonds8

About 1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine

1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine (PubChem CID 10178641) has the molecular formula C26H36N2O and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine
PubChem CID10178641
Molecular FormulaC26H36N2O
Molecular Weight392.59 g/mol
Exact Mass392.28
IUPAC Name1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine
SMILESc1ccc(-c2ccc(OCCCN3CCCCC3)cc2)c(CN2CCCCC2)c1
InChIInChI=1S/C26H36N2O/c1-5-16-27(17-6-1)20-9-21-29-25-14-12-23(13-15-25)26-11-4-3-10-24(26)22-28-18-7-2-8-19-28/h3-4,10-15H,1-2,5-9,16-22H2
InChIKeyREJHWHKAYIUXPP-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-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine (CID 10178641) is 1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine is c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)c(CN2CCCCC2)c1.
What is the InChIKey of 1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine?
The InChIKey is REJHWHKAYIUXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O/c1-5-16-27(17-6-1)20-9-21-29-25-14-12-23(13-15-25)26-11-4-3-10-24(26)22-28-18-7-2-8-19-28/h3-4,10-15H,1-2,5-9,16-22H2.
What are the key properties of 1-[3-[4-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine?
1-[3-[4-[2-(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-[2-(piperidin-1-ylmethyl)phenyl]phenoxy]propyl]piperidine is sourced from PubChem (CID 10178641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).