1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine

C21H25FN2O — CID 72802018

IUPAC1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine
SMILESCON=C(CCN1CCCC(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c1-25-23-21(18-9-11-20(22)12-10-18)13-15-24-14-5-8-19(16-24)17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3
InChIKeyJFQIPDVWAIOGHH-UHFFFAOYSA-N
MW340.44 g/mol
LogP4.45
Rot. Bonds6

About 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine

1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine (PubChem CID 72802018) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine
PubChem CID72802018
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine
SMILESCON=C(CCN1CCCC(c2ccccc2)C1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c1-25-23-21(18-9-11-20(22)12-10-18)13-15-24-14-5-8-19(16-24)17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3
InChIKeyJFQIPDVWAIOGHH-UHFFFAOYSA-N
XLogP4.45
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine?
The IUPAC name of 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine (CID 72802018) is 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine is CON=C(CCN1CCCC(c2ccccc2)C1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine?
The InChIKey is JFQIPDVWAIOGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-25-23-21(18-9-11-20(22)12-10-18)13-15-24-14-5-8-19(16-24)17-6-3-2-4-7-17/h2-4,6-7,9-12,19H,5,8,13-16H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine?
1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine has a molecular weight of 340.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methoxy-3-(3-phenylpiperidin-1-yl)propan-1-imine is sourced from PubChem (CID 72802018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).