1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine

C17H27FN2O — CID 18511650

IUPAC1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(CCCOCCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2O/c1-19-17-7-11-20(12-8-17)10-2-13-21-14-9-15-3-5-16(18)6-4-15/h3-6,17,19H,2,7-14H2,1H3
InChIKeyWQPONLURPGEKPQ-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.46
Rot. Bonds8

About 1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine

1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine (PubChem CID 18511650) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is 1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine
PubChem CID18511650
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(CCCOCCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H27FN2O/c1-19-17-7-11-20(12-8-17)10-2-13-21-14-9-15-3-5-16(18)6-4-15/h3-6,17,19H,2,7-14H2,1H3
InChIKeyWQPONLURPGEKPQ-UHFFFAOYSA-N
XLogP2.46
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.46
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-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine (CID 18511650) is 1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine is CNC1CCN(CCCOCCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine?
The InChIKey is WQPONLURPGEKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-19-17-7-11-20(12-8-17)10-2-13-21-14-9-15-3-5-16(18)6-4-15/h3-6,17,19H,2,7-14H2,1H3.
What are the key properties of 1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine?
1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine has a molecular weight of 294.41 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(4-fluorophenyl)ethoxy]propyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 18511650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).