3,4-difluoro-N-piperidin-4-yloxyaniline

C11H14F2N2O — CID 87994518

IUPAC3,4-difluoro-N-piperidin-4-yloxyaniline
SMILESFc1ccc(NOC2CCNCC2)cc1F
InChIInChI=1S/C11H14F2N2O/c12-10-2-1-8(7-11(10)13)15-16-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeySDAHWWHRYGVZEP-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.06
Rot. Bonds3

About 3,4-difluoro-N-piperidin-4-yloxyaniline

3,4-difluoro-N-piperidin-4-yloxyaniline (PubChem CID 87994518) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 3,4-difluoro-N-piperidin-4-yloxyaniline.

Molecular Properties

Compound Name3,4-difluoro-N-piperidin-4-yloxyaniline
PubChem CID87994518
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name3,4-difluoro-N-piperidin-4-yloxyaniline
SMILESFc1ccc(NOC2CCNCC2)cc1F
InChIInChI=1S/C11H14F2N2O/c12-10-2-1-8(7-11(10)13)15-16-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeySDAHWWHRYGVZEP-UHFFFAOYSA-N
XLogP2.06
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-piperidin-4-yloxyaniline?
The IUPAC name of 3,4-difluoro-N-piperidin-4-yloxyaniline (CID 87994518) is 3,4-difluoro-N-piperidin-4-yloxyaniline.
What is the SMILES notation for 3,4-difluoro-N-piperidin-4-yloxyaniline?
The canonical SMILES for 3,4-difluoro-N-piperidin-4-yloxyaniline is Fc1ccc(NOC2CCNCC2)cc1F.
What is the InChIKey of 3,4-difluoro-N-piperidin-4-yloxyaniline?
The InChIKey is SDAHWWHRYGVZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-10-2-1-8(7-11(10)13)15-16-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2.
What are the key properties of 3,4-difluoro-N-piperidin-4-yloxyaniline?
3,4-difluoro-N-piperidin-4-yloxyaniline has a molecular weight of 228.24 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-piperidin-4-yloxyaniline is sourced from PubChem (CID 87994518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).