4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline

C15H23FN2O — CID 150208014

IUPAC4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline
SMILESCOc1cc(C2CCN(CCCF)CC2)ccc1N
InChIInChI=1S/C15H23FN2O/c1-19-15-11-13(3-4-14(15)17)12-5-9-18(10-6-12)8-2-7-16/h3-4,11-12H,2,5-10,17H2,1H3
InChIKeyFQWOBZVOGLPTDJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.82
Rot. Bonds5

About 4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline

4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline (PubChem CID 150208014) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline.

Molecular Properties

Compound Name4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline
PubChem CID150208014
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline
SMILESCOc1cc(C2CCN(CCCF)CC2)ccc1N
InChIInChI=1S/C15H23FN2O/c1-19-15-11-13(3-4-14(15)17)12-5-9-18(10-6-12)8-2-7-16/h3-4,11-12H,2,5-10,17H2,1H3
InChIKeyFQWOBZVOGLPTDJ-UHFFFAOYSA-N
XLogP2.82
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline?
The IUPAC name of 4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline (CID 150208014) is 4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline.
What is the SMILES notation for 4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline?
The canonical SMILES for 4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline is COc1cc(C2CCN(CCCF)CC2)ccc1N.
What is the InChIKey of 4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline?
The InChIKey is FQWOBZVOGLPTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-19-15-11-13(3-4-14(15)17)12-5-9-18(10-6-12)8-2-7-16/h3-4,11-12H,2,5-10,17H2,1H3.
What are the key properties of 4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline?
4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline has a molecular weight of 266.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-fluoropropyl)piperidin-4-yl]-2-methoxyaniline is sourced from PubChem (CID 150208014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).