1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine

C15H22BrFN2 — CID 107594230

IUPAC1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(c2cc(Br)c(F)cc2C)C1
InChIInChI=1S/C15H22BrFN2/c1-3-6-18-12-5-4-7-19(10-12)15-9-13(16)14(17)8-11(15)2/h8-9,12,18H,3-7,10H2,1-2H3
InChIKeyQZOLLYQJZNRSII-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.87
Rot. Bonds4

About 1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine

1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine (PubChem CID 107594230) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is 1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine
PubChem CID107594230
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC Name1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(c2cc(Br)c(F)cc2C)C1
InChIInChI=1S/C15H22BrFN2/c1-3-6-18-12-5-4-7-19(10-12)15-9-13(16)14(17)8-11(15)2/h8-9,12,18H,3-7,10H2,1-2H3
InChIKeyQZOLLYQJZNRSII-UHFFFAOYSA-N
XLogP3.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-3-fluorophenyl)-N-propylpiperidin-3-amine
CID 65437234
N-propyl-1-(2,3,5,6-tetrafluorophenyl)piperidin-3-amine
CID 107646128
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 64855894
1-(5-chloro-2-methylphenyl)-N-propylpyrrolidin-3-amine
CID 60862451
1-(2,5-dimethylphenyl)-N-propylpyrrolidin-3-amine
CID 43314896
1-(5-bromo-4-fluoro-2-methylphenyl)-3-cyclopropyl-1,4-diazepane
CID 107594258
2-[[1-(2-bromo-4-methylphenyl)piperidin-3-yl]amino]ethanol
CID 117004977
1-(5-bromo-4-fluoro-2-methylphenyl)-3,3-dipropylazetidine
CID 107592747
1-(5-bromo-4-fluoro-2-methylphenyl)-3-methylpiperidin-4-amine
CID 107592784
1-(5-methyl-3-pyridinyl)-N-propylpiperidin-3-amine
CID 107586869
1-(5-bromo-4-fluoro-2-methylphenyl)-3-(ethylamino)piperidin-2-one
CID 107594221
N-propyl-1-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 62809687

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine?
The IUPAC name of 1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine (CID 107594230) is 1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine.
What is the SMILES notation for 1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine?
The canonical SMILES for 1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine is CCCNC1CCCN(c2cc(Br)c(F)cc2C)C1.
What is the InChIKey of 1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine?
The InChIKey is QZOLLYQJZNRSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-3-6-18-12-5-4-7-19(10-12)15-9-13(16)14(17)8-11(15)2/h8-9,12,18H,3-7,10H2,1-2H3.
What are the key properties of 1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine?
1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine has a molecular weight of 329.26 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 1-(5-bromo-4-fluoro-2-methylphenyl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 107594230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).