4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine

C13H20FN3O — CID 68841997

IUPAC4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine
SMILESNc1cc(F)c(OCCN2CCCCC2)cc1N
InChIInChI=1S/C13H20FN3O/c14-10-8-11(15)12(16)9-13(10)18-7-6-17-4-2-1-3-5-17/h8-9H,1-7,15-16H2
InChIKeyVMQPQGFZUISMPT-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.85
Rot. Bonds4

About 4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine

4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine (PubChem CID 68841997) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine
PubChem CID68841997
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine
SMILESNc1cc(F)c(OCCN2CCCCC2)cc1N
InChIInChI=1S/C13H20FN3O/c14-10-8-11(15)12(16)9-13(10)18-7-6-17-4-2-1-3-5-17/h8-9H,1-7,15-16H2
InChIKeyVMQPQGFZUISMPT-UHFFFAOYSA-N
XLogP1.85
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine (CID 68841997) is 4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine is Nc1cc(F)c(OCCN2CCCCC2)cc1N.
What is the InChIKey of 4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine?
The InChIKey is VMQPQGFZUISMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c14-10-8-11(15)12(16)9-13(10)18-7-6-17-4-2-1-3-5-17/h8-9H,1-7,15-16H2.
What are the key properties of 4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine?
4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine has a molecular weight of 253.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(2-piperidin-1-ylethoxy)benzene-1,2-diamine is sourced from PubChem (CID 68841997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).