N-(4-bromo-2-fluorophenyl)piperidin-4-amine

C11H14BrFN2 — CID 61016241

IUPACN-(4-bromo-2-fluorophenyl)piperidin-4-amine
SMILESFc1cc(Br)ccc1NC1CCNCC1
InChIInChI=1S/C11H14BrFN2/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeyDZUGSSXWPYUQNS-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.75
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)piperidin-4-amine

N-(4-bromo-2-fluorophenyl)piperidin-4-amine (PubChem CID 61016241) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)piperidin-4-amine
PubChem CID61016241
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC NameN-(4-bromo-2-fluorophenyl)piperidin-4-amine
SMILESFc1cc(Br)ccc1NC1CCNCC1
InChIInChI=1S/C11H14BrFN2/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2
InChIKeyDZUGSSXWPYUQNS-UHFFFAOYSA-N
XLogP2.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)piperidin-4-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)piperidin-4-amine (CID 61016241) is N-(4-bromo-2-fluorophenyl)piperidin-4-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)piperidin-4-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)piperidin-4-amine is Fc1cc(Br)ccc1NC1CCNCC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)piperidin-4-amine?
The InChIKey is DZUGSSXWPYUQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-8-1-2-11(10(13)7-8)15-9-3-5-14-6-4-9/h1-2,7,9,14-15H,3-6H2.
What are the key properties of N-(4-bromo-2-fluorophenyl)piperidin-4-amine?
N-(4-bromo-2-fluorophenyl)piperidin-4-amine has a molecular weight of 273.15 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)piperidin-4-amine is sourced from PubChem (CID 61016241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).