5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine

C13H19BrFN3O — CID 146212156

IUPAC5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine
SMILESNc1cc(Br)cnc1OCCCN1CCC(F)CC1
InChIInChI=1S/C13H19BrFN3O/c14-10-8-12(16)13(17-9-10)19-7-1-4-18-5-2-11(15)3-6-18/h8-9,11H,1-7,16H2
InChIKeyAVOUHNKQQDAWNJ-UHFFFAOYSA-N
MW332.22 g/mol
LogP2.63
Rot. Bonds5

About 5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine

5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine (PubChem CID 146212156) has the molecular formula C13H19BrFN3O and a molecular weight of 332.22 g/mol. Its IUPAC name is 5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine
PubChem CID146212156
Molecular FormulaC13H19BrFN3O
Molecular Weight332.22 g/mol
Exact Mass331.07
IUPAC Name5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine
SMILESNc1cc(Br)cnc1OCCCN1CCC(F)CC1
InChIInChI=1S/C13H19BrFN3O/c14-10-8-12(16)13(17-9-10)19-7-1-4-18-5-2-11(15)3-6-18/h8-9,11H,1-7,16H2
InChIKeyAVOUHNKQQDAWNJ-UHFFFAOYSA-N
XLogP2.63
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine?
The IUPAC name of 5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine (CID 146212156) is 5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine.
What is the SMILES notation for 5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine?
The canonical SMILES for 5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine is Nc1cc(Br)cnc1OCCCN1CCC(F)CC1.
What is the InChIKey of 5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine?
The InChIKey is AVOUHNKQQDAWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrFN3O/c14-10-8-12(16)13(17-9-10)19-7-1-4-18-5-2-11(15)3-6-18/h8-9,11H,1-7,16H2.
What are the key properties of 5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine?
5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine has a molecular weight of 332.22 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-(4-fluoropiperidin-1-yl)propoxy]pyridin-3-amine is sourced from PubChem (CID 146212156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).