N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine

C11H13BrF2N2 — CID 65468689

IUPACN-(4-bromo-2,6-difluorophenyl)piperidin-3-amine
SMILESFc1cc(Br)cc(F)c1NC1CCCNC1
InChIInChI=1S/C11H13BrF2N2/c12-7-4-9(13)11(10(14)5-7)16-8-2-1-3-15-6-8/h4-5,8,15-16H,1-3,6H2
InChIKeyJXDCLVZVHFMHDB-UHFFFAOYSA-N
MW291.14 g/mol
LogP2.89
Rot. Bonds2

About N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine

N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine (PubChem CID 65468689) has the molecular formula C11H13BrF2N2 and a molecular weight of 291.14 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)piperidin-3-amine
PubChem CID65468689
Molecular FormulaC11H13BrF2N2
Molecular Weight291.14 g/mol
Exact Mass290.02
IUPAC NameN-(4-bromo-2,6-difluorophenyl)piperidin-3-amine
SMILESFc1cc(Br)cc(F)c1NC1CCCNC1
InChIInChI=1S/C11H13BrF2N2/c12-7-4-9(13)11(10(14)5-7)16-8-2-1-3-15-6-8/h4-5,8,15-16H,1-3,6H2
InChIKeyJXDCLVZVHFMHDB-UHFFFAOYSA-N
XLogP2.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine (CID 65468689) is N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine is Fc1cc(Br)cc(F)c1NC1CCCNC1.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine?
The InChIKey is JXDCLVZVHFMHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF2N2/c12-7-4-9(13)11(10(14)5-7)16-8-2-1-3-15-6-8/h4-5,8,15-16H,1-3,6H2.
What are the key properties of N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine?
N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine has a molecular weight of 291.14 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)piperidin-3-amine is sourced from PubChem (CID 65468689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).