1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine

C13H18BrFN2 — CID 107600628

IUPAC1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine
SMILESCC1C(N)CCN(c2c(F)cccc2Br)C1C
InChIInChI=1S/C13H18BrFN2/c1-8-9(2)17(7-6-12(8)16)13-10(14)4-3-5-11(13)15/h3-5,8-9,12H,6-7,16H2,1-2H3
InChIKeySQGDKUAWDDRSDV-UHFFFAOYSA-N
MW301.20 g/mol
LogP3.15
Rot. Bonds1

About 1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine

1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine (PubChem CID 107600628) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine
PubChem CID107600628
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine
SMILESCC1C(N)CCN(c2c(F)cccc2Br)C1C
InChIInChI=1S/C13H18BrFN2/c1-8-9(2)17(7-6-12(8)16)13-10(14)4-3-5-11(13)15/h3-5,8-9,12H,6-7,16H2,1-2H3
InChIKeySQGDKUAWDDRSDV-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-2,3-dimethylpiperidin-4-amine
CID 79396789
1-(3-chloro-4-fluorophenyl)-2,3-dimethylpiperidin-4-amine
CID 79398158
1-(2,6-difluorophenyl)-N-ethyl-2,3-dimethylpiperidin-4-amine
CID 79397433
1-(2-bromo-5-iodophenyl)-2,3-dimethylpiperidin-4-amine
CID 114260487
8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 107603606
3-(2,6-difluorophenyl)-2-methylcyclopentan-1-amine
CID 64910050
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone
CID 115737432
1-(2-bromo-6-fluorophenyl)-4-methylpiperazine
CID 139569555
1-[4-(dimethylamino)phenyl]-2,3-dimethylpiperidin-4-amine
CID 79397869
(4-amino-3-methylpiperidin-1-yl)-(2-bromo-6-fluorophenyl)methanone;hydrochloride
CID 119592569
[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716
1-(5-chloro-2-methylphenyl)-2,3-dimethylpiperidin-4-amine
CID 79396925

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine (CID 107600628) is 1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine is CC1C(N)CCN(c2c(F)cccc2Br)C1C.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine?
The InChIKey is SQGDKUAWDDRSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-8-9(2)17(7-6-12(8)16)13-10(14)4-3-5-11(13)15/h3-5,8-9,12H,6-7,16H2,1-2H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine?
1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine has a molecular weight of 301.20 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 107600628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).