N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine

C14H20BrFN2 — CID 107598285

IUPACN-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2c(F)cccc2Br)CC1
InChIInChI=1S/C14H20BrFN2/c1-2-8-18-9-6-11(7-10-18)17-14-12(15)4-3-5-13(14)16/h3-5,11,17H,2,6-10H2,1H3
InChIKeyUSGBEAUNAAQXKP-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.87
Rot. Bonds4

About N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine

N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine (PubChem CID 107598285) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine
PubChem CID107598285
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC NameN-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2c(F)cccc2Br)CC1
InChIInChI=1S/C14H20BrFN2/c1-2-8-18-9-6-11(7-10-18)17-14-12(15)4-3-5-13(14)16/h3-5,11,17H,2,6-10H2,1H3
InChIKeyUSGBEAUNAAQXKP-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-fluorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 107598016
N-(2-bromo-6-fluorophenyl)-1-methylazepan-4-amine
CID 107598238
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine
CID 65074729
N-(3-fluoro-2-methylphenyl)-1-propylazepan-4-amine
CID 65073245
N-(3-bromo-4-fluorophenyl)-1-propylazepan-4-amine
CID 104775951
4-bromo-5-fluoro-2-N-(1-propylpiperidin-4-yl)benzene-1,2-diamine
CID 116735684
2-fluoro-6-[(1-propylpiperidin-4-yl)amino]benzenecarbothioamide
CID 79513789
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
2-bromo-N-(3,3-dimethylcyclopentyl)-6-fluoroaniline
CID 107597939
2-bromo-N-(2-ethylcyclopentyl)-6-fluoroaniline
CID 107597952
N-(2-chloro-6-methylphenyl)-1-propylazepan-4-amine
CID 66251857
N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
CID 107572074

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine (CID 107598285) is N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine is CCCN1CCC(Nc2c(F)cccc2Br)CC1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine?
The InChIKey is USGBEAUNAAQXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-2-8-18-9-6-11(7-10-18)17-14-12(15)4-3-5-13(14)16/h3-5,11,17H,2,6-10H2,1H3.
What are the key properties of N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine?
N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine has a molecular weight of 315.23 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-1-propylpiperidin-4-amine is sourced from PubChem (CID 107598285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).