1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine

C16H25FN2O — CID 118588406

IUPAC1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine
SMILESCC(N)Cc1cc(OCCF)ccc1N1CCCCC1
InChIInChI=1S/C16H25FN2O/c1-13(18)11-14-12-15(20-10-7-17)5-6-16(14)19-8-3-2-4-9-19/h5-6,12-13H,2-4,7-11,18H2,1H3
InChIKeyRSWZHMLNZWPYNY-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.91
Rot. Bonds6

About 1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine

1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine (PubChem CID 118588406) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine
PubChem CID118588406
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine
SMILESCC(N)Cc1cc(OCCF)ccc1N1CCCCC1
InChIInChI=1S/C16H25FN2O/c1-13(18)11-14-12-15(20-10-7-17)5-6-16(14)19-8-3-2-4-9-19/h5-6,12-13H,2-4,7-11,18H2,1H3
InChIKeyRSWZHMLNZWPYNY-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine?
The IUPAC name of 1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine (CID 118588406) is 1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine.
What is the SMILES notation for 1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine?
The canonical SMILES for 1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine is CC(N)Cc1cc(OCCF)ccc1N1CCCCC1.
What is the InChIKey of 1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine?
The InChIKey is RSWZHMLNZWPYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-13(18)11-14-12-15(20-10-7-17)5-6-16(14)19-8-3-2-4-9-19/h5-6,12-13H,2-4,7-11,18H2,1H3.
What are the key properties of 1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine?
1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine has a molecular weight of 280.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-fluoroethoxy)-2-piperidin-1-ylphenyl]propan-2-amine is sourced from PubChem (CID 118588406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).