1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine

C13H17BrF3N3 — CID 106796608

IUPAC1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(c2ncc(Br)cc2C(F)(F)F)CCC1N
InChIInChI=1S/C13H17BrF3N3/c1-2-8-7-20(4-3-11(8)18)12-10(13(15,16)17)5-9(14)6-19-12/h5-6,8,11H,2-4,7,18H2,1H3
InChIKeyBFWKFUAQDITRFL-UHFFFAOYSA-N
MW352.20 g/mol
LogP3.43
Rot. Bonds2

About 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine

1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine (PubChem CID 106796608) has the molecular formula C13H17BrF3N3 and a molecular weight of 352.20 g/mol. Its IUPAC name is 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine
PubChem CID106796608
Molecular FormulaC13H17BrF3N3
Molecular Weight352.20 g/mol
Exact Mass351.06
IUPAC Name1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine
SMILESCCC1CN(c2ncc(Br)cc2C(F)(F)F)CCC1N
InChIInChI=1S/C13H17BrF3N3/c1-2-8-7-20(4-3-11(8)18)12-10(13(15,16)17)5-9(14)6-19-12/h5-6,8,11H,2-4,7,18H2,1H3
InChIKeyBFWKFUAQDITRFL-UHFFFAOYSA-N
XLogP3.43
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-bromopyrrolidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106797048
5-bromo-2-(4-chloropiperidin-1-yl)-3-(trifluoromethyl)pyridine
CID 106796935
1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine
CID 112676232
1-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-N-methylmethanamine
CID 106796530
N-[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 171326608
[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165432807
5-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106796587
4-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-N'-hydroxymorpholine-2-carboximidamide
CID 106795885
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-2-ethylpiperazine
CID 106796881
[1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-methylpiperazin-2-yl]methanamine
CID 106796604
8-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 106795827
methyl 2-[4-amino-3-(hydroxymethyl)piperidin-1-yl]-5-bromopyridine-3-carboxylate
CID 129253288

Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine?
The IUPAC name of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine (CID 106796608) is 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine is CCC1CN(c2ncc(Br)cc2C(F)(F)F)CCC1N.
What is the InChIKey of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine?
The InChIKey is BFWKFUAQDITRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF3N3/c1-2-8-7-20(4-3-11(8)18)12-10(13(15,16)17)5-9(14)6-19-12/h5-6,8,11H,2-4,7,18H2,1H3.
What are the key properties of 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine?
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine has a molecular weight of 352.20 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-3-ethylpiperidin-4-amine is sourced from PubChem (CID 106796608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).