N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine

C14H20BrFN2 — CID 65435866

IUPACN-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccc(Br)c(F)c1
InChIInChI=1S/C14H20BrFN2/c1-9-8-18(3)10(2)6-14(9)17-11-4-5-12(15)13(16)7-11/h4-5,7,9-10,14,17H,6,8H2,1-3H3
InChIKeyDYDUTEKSDRIYJQ-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.73
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine

N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine (PubChem CID 65435866) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
PubChem CID65435866
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC NameN-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
SMILESCC1CN(C)C(C)CC1Nc1ccc(Br)c(F)c1
InChIInChI=1S/C14H20BrFN2/c1-9-8-18(3)10(2)6-14(9)17-11-4-5-12(15)13(16)7-11/h4-5,7,9-10,14,17H,6,8H2,1-3H3
InChIKeyDYDUTEKSDRIYJQ-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(difluoromethoxy)-3-fluorophenyl]-1,2,5-trimethylpiperidin-4-amine
CID 60942486
N-(3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665401
N-(4-chlorophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665402
N-(3-bromo-4-nitrophenyl)-1,2,5-trimethylpiperidin-4-amine
CID 82865025
N-(4-tert-butylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665344
N-(4-chloro-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 107270537
N-(3-chloro-4-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43665336
5-methyl-N-(1,2,5-trimethylpiperidin-4-yl)pyridin-3-amine
CID 113354139
[3-[(1,2,5-trimethylpiperidin-4-yl)amino]phenyl]methanol
CID 43715216
2-chloro-N-methyl-5-[(1,2,5-trimethylpiperidin-4-yl)amino]benzamide
CID 60936196
N-(4-bromo-2,6-dimethylphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 54863711
N-(4-ethoxy-3-methoxyphenyl)-1,2,5-trimethylpiperidin-4-amine
CID 43717361

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine (CID 65435866) is N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine is CC1CN(C)C(C)CC1Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine?
The InChIKey is DYDUTEKSDRIYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-9-8-18(3)10(2)6-14(9)17-11-4-5-12(15)13(16)7-11/h4-5,7,9-10,14,17H,6,8H2,1-3H3.
What are the key properties of N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine?
N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine has a molecular weight of 315.23 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-1,2,5-trimethylpiperidin-4-amine is sourced from PubChem (CID 65435866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).