1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine

C20H25FN2O — CID 14968313

IUPAC1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine
SMILESFc1ccc(OCCCN2CCC(Nc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25FN2O/c21-17-7-9-20(10-8-17)24-16-4-13-23-14-11-19(12-15-23)22-18-5-2-1-3-6-18/h1-3,5-10,19,22H,4,11-16H2
InChIKeyCEMWHSJPKNHFIF-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.17
Rot. Bonds7

About 1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine

1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine (PubChem CID 14968313) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine
PubChem CID14968313
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine
SMILESFc1ccc(OCCCN2CCC(Nc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25FN2O/c21-17-7-9-20(10-8-17)24-16-4-13-23-14-11-19(12-15-23)22-18-5-2-1-3-6-18/h1-3,5-10,19,22H,4,11-16H2
InChIKeyCEMWHSJPKNHFIF-UHFFFAOYSA-N
XLogP4.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
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-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine (CID 14968313) is 1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine is Fc1ccc(OCCCN2CCC(Nc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine?
The InChIKey is CEMWHSJPKNHFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c21-17-7-9-20(10-8-17)24-16-4-13-23-14-11-19(12-15-23)22-18-5-2-1-3-6-18/h1-3,5-10,19,22H,4,11-16H2.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine?
1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine has a molecular weight of 328.43 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-N-phenylpiperidin-4-amine is sourced from PubChem (CID 14968313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).