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

C20H32N2O — CID 2766326

IUPAC1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine
SMILESc1cc(OCCCN2CCCCC2)ccc1CN1CCCCC1
InChIInChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
InChIKeyPTKHFRNHJULJKT-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.93
Rot. Bonds7

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

1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine (PubChem CID 2766326) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine
PubChem CID2766326
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine
SMILESc1cc(OCCCN2CCCCC2)ccc1CN1CCCCC1
InChIInChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
InChIKeyPTKHFRNHJULJKT-UHFFFAOYSA-N
XLogP3.93
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.93
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-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine?
The IUPAC name of 1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine (CID 2766326) is 1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine is c1cc(OCCCN2CCCCC2)ccc1CN1CCCCC1.
What is the InChIKey of 1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine?
The InChIKey is PTKHFRNHJULJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2.
What are the key properties of 1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine?
1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine has a molecular weight of 316.49 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(piperidin-1-ylmethyl)phenoxy]propyl]piperidine is sourced from PubChem (CID 2766326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).