4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine

C18H29FN2 — CID 71521280

IUPAC4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine
SMILESFc1ccc(CCCCNCCCN2CCCCC2)cc1
InChIInChI=1S/C18H29FN2/c19-18-10-8-17(9-11-18)7-2-3-12-20-13-6-16-21-14-4-1-5-15-21/h8-11,20H,1-7,12-16H2
InChIKeyQJFRFNMLVHWXGJ-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.61
Rot. Bonds9

About 4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine

4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine (PubChem CID 71521280) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine
PubChem CID71521280
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine
SMILESFc1ccc(CCCCNCCCN2CCCCC2)cc1
InChIInChI=1S/C18H29FN2/c19-18-10-8-17(9-11-18)7-2-3-12-20-13-6-16-21-14-4-1-5-15-21/h8-11,20H,1-7,12-16H2
InChIKeyQJFRFNMLVHWXGJ-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine (CID 71521280) is 4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine is Fc1ccc(CCCCNCCCN2CCCCC2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine?
The InChIKey is QJFRFNMLVHWXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c19-18-10-8-17(9-11-18)7-2-3-12-20-13-6-16-21-14-4-1-5-15-21/h8-11,20H,1-7,12-16H2.
What are the key properties of 4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine?
4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-(3-piperidin-1-ylpropyl)butan-1-amine is sourced from PubChem (CID 71521280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).