3,5-difluoroaniline;2-piperidin-4-ylethanol

C13H20F2N2O — CID 69483809

IUPAC3,5-difluoroaniline;2-piperidin-4-ylethanol
SMILESNc1cc(F)cc(F)c1.OCCC1CCNCC1
InChIInChI=1S/C7H15NO.C6H5F2N/c9-6-3-7-1-4-8-5-2-7;7-4-1-5(8)3-6(9)2-4/h7-9H,1-6H2;1-3H,9H2
InChIKeyAEDRBHLRTLMFHL-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.92
Rot. Bonds2

About 3,5-difluoroaniline;2-piperidin-4-ylethanol

3,5-difluoroaniline;2-piperidin-4-ylethanol (PubChem CID 69483809) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 3,5-difluoroaniline;2-piperidin-4-ylethanol.

Molecular Properties

Compound Name3,5-difluoroaniline;2-piperidin-4-ylethanol
PubChem CID69483809
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name3,5-difluoroaniline;2-piperidin-4-ylethanol
SMILESNc1cc(F)cc(F)c1.OCCC1CCNCC1
InChIInChI=1S/C7H15NO.C6H5F2N/c9-6-3-7-1-4-8-5-2-7;7-4-1-5(8)3-6(9)2-4/h7-9H,1-6H2;1-3H,9H2
InChIKeyAEDRBHLRTLMFHL-UHFFFAOYSA-N
XLogP1.92
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.92
H-Bond Donors ≤ 53
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 3,5-difluoroaniline;2-piperidin-4-ylethanol?
The IUPAC name of 3,5-difluoroaniline;2-piperidin-4-ylethanol (CID 69483809) is 3,5-difluoroaniline;2-piperidin-4-ylethanol.
What is the SMILES notation for 3,5-difluoroaniline;2-piperidin-4-ylethanol?
The canonical SMILES for 3,5-difluoroaniline;2-piperidin-4-ylethanol is Nc1cc(F)cc(F)c1.OCCC1CCNCC1.
What is the InChIKey of 3,5-difluoroaniline;2-piperidin-4-ylethanol?
The InChIKey is AEDRBHLRTLMFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H5F2N/c9-6-3-7-1-4-8-5-2-7;7-4-1-5(8)3-6(9)2-4/h7-9H,1-6H2;1-3H,9H2.
What are the key properties of 3,5-difluoroaniline;2-piperidin-4-ylethanol?
3,5-difluoroaniline;2-piperidin-4-ylethanol has a molecular weight of 258.31 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoroaniline;2-piperidin-4-ylethanol is sourced from PubChem (CID 69483809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).