1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine

C20H32N2O — CID 57340282

IUPAC1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine
SMILESc1ccc(OCCCCN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C20H32N2O/c1-3-9-20(10-4-1)23-18-8-7-13-21-16-11-19(12-17-21)22-14-5-2-6-15-22/h1,3-4,9-10,19H,2,5-8,11-18H2
InChIKeyYQUWKJDGVVUQJS-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.80
Rot. Bonds7

About 1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine

1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine (PubChem CID 57340282) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine
PubChem CID57340282
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine
SMILESc1ccc(OCCCCN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C20H32N2O/c1-3-9-20(10-4-1)23-18-8-7-13-21-16-11-19(12-17-21)22-14-5-2-6-15-22/h1,3-4,9-10,19H,2,5-8,11-18H2
InChIKeyYQUWKJDGVVUQJS-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine (CID 57340282) is 1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine is c1ccc(OCCCCN2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine?
The InChIKey is YQUWKJDGVVUQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-9-20(10-4-1)23-18-8-7-13-21-16-11-19(12-17-21)22-14-5-2-6-15-22/h1,3-4,9-10,19H,2,5-8,11-18H2.
What are the key properties of 1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine?
1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine has a molecular weight of 316.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxybutyl)-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 57340282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).