3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline

C11H14ClFN2O — CID 123873690

IUPAC3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline
SMILESNc1ccc(OC2CCNCC2F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c12-8-5-7(14)1-2-10(8)16-11-3-4-15-6-9(11)13/h1-2,5,9,11,15H,3-4,6,14H2
InChIKeyYYSDQSQAGBDWGL-UHFFFAOYSA-N
MW244.70 g/mol
LogP2.00
Rot. Bonds2

About 3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline

3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline (PubChem CID 123873690) has the molecular formula C11H14ClFN2O and a molecular weight of 244.70 g/mol. Its IUPAC name is 3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline
PubChem CID123873690
Molecular FormulaC11H14ClFN2O
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Name3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline
SMILESNc1ccc(OC2CCNCC2F)c(Cl)c1
InChIInChI=1S/C11H14ClFN2O/c12-8-5-7(14)1-2-10(8)16-11-3-4-15-6-9(11)13/h1-2,5,9,11,15H,3-4,6,14H2
InChIKeyYYSDQSQAGBDWGL-UHFFFAOYSA-N
XLogP2.00
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 52.00
H-Bond Donors ≤ 52
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-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline?
The IUPAC name of 3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline (CID 123873690) is 3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline.
What is the SMILES notation for 3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline?
The canonical SMILES for 3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline is Nc1ccc(OC2CCNCC2F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline?
The InChIKey is YYSDQSQAGBDWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O/c12-8-5-7(14)1-2-10(8)16-11-3-4-15-6-9(11)13/h1-2,5,9,11,15H,3-4,6,14H2.
What are the key properties of 3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline?
3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline has a molecular weight of 244.70 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-fluoropiperidin-4-yl)oxyaniline is sourced from PubChem (CID 123873690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).