N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine

C13H18BrFN2 — CID 114235564

IUPACN-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CNCCC1Nc1cc(F)ccc1Br
InChIInChI=1S/C13H18BrFN2/c1-13(2)8-16-6-5-12(13)17-11-7-9(15)3-4-10(11)14/h3-4,7,12,16-17H,5-6,8H2,1-2H3
InChIKeyQHWBZDNGZRCWKI-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.39
Rot. Bonds2

About N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine

N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine (PubChem CID 114235564) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine
PubChem CID114235564
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC NameN-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CNCCC1Nc1cc(F)ccc1Br
InChIInChI=1S/C13H18BrFN2/c1-13(2)8-16-6-5-12(13)17-11-7-9(15)3-4-10(11)14/h3-4,7,12,16-17H,5-6,8H2,1-2H3
InChIKeyQHWBZDNGZRCWKI-UHFFFAOYSA-N
XLogP3.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-fluorophenyl)piperidin-4-amine
CID 107632991
N-(4-bromo-2-chlorophenyl)-3,3-dimethylpiperidin-4-amine
CID 114235355
N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine
CID 114235555
2-bromo-N-cyclobutyl-5-fluoroaniline
CID 107633201
N-(2,2-dimethylcyclohexyl)-5-fluoro-2-methylaniline
CID 79829574
4-(4-fluorophenyl)-3,3-dimethylpiperidine;pentakis(yttrium)
CID 159623116
2-bromo-5-fluoro-N-(2-methylcyclopentyl)aniline
CID 107632740
N-(3-iodo-2-methylphenyl)-3,3-dimethylpiperidin-4-amine
CID 114256846
N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide
CID 107626850
N-(2-chloro-6-fluorophenyl)-3,3-dimethylpiperidin-4-amine
CID 114235536
2-(2-bromo-5-fluoroanilino)cyclopentan-1-ol
CID 107635614
N-(2-bromo-5-fluorophenyl)oxolan-3-amine
CID 107633205

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine (CID 114235564) is N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine is CC1(C)CNCCC1Nc1cc(F)ccc1Br.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine?
The InChIKey is QHWBZDNGZRCWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-13(2)8-16-6-5-12(13)17-11-7-9(15)3-4-10(11)14/h3-4,7,12,16-17H,5-6,8H2,1-2H3.
What are the key properties of N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine?
N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine has a molecular weight of 301.20 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114235564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).