1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine

C15H18BrF3N2 — CID 65489266

IUPAC1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine
SMILESFC(F)(F)c1cc(Br)cc(N2CCCC(NC3CC3)C2)c1
InChIInChI=1S/C15H18BrF3N2/c16-11-6-10(15(17,18)19)7-14(8-11)21-5-1-2-13(9-21)20-12-3-4-12/h6-8,12-13,20H,1-5,9H2
InChIKeyRJXHAMRUOQOPDF-UHFFFAOYSA-N
MW363.22 g/mol
LogP4.19
Rot. Bonds3

About 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine

1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine (PubChem CID 65489266) has the molecular formula C15H18BrF3N2 and a molecular weight of 363.22 g/mol. Its IUPAC name is 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine.

Molecular Properties

Compound Name1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine
PubChem CID65489266
Molecular FormulaC15H18BrF3N2
Molecular Weight363.22 g/mol
Exact Mass362.06
IUPAC Name1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine
SMILESFC(F)(F)c1cc(Br)cc(N2CCCC(NC3CC3)C2)c1
InChIInChI=1S/C15H18BrF3N2/c16-11-6-10(15(17,18)19)7-14(8-11)21-5-1-2-13(9-21)20-12-3-4-12/h6-8,12-13,20H,1-5,9H2
InChIKeyRJXHAMRUOQOPDF-UHFFFAOYSA-N
XLogP4.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.22
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine?
The IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine (CID 65489266) is 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine.
What is the SMILES notation for 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine?
The canonical SMILES for 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine is FC(F)(F)c1cc(Br)cc(N2CCCC(NC3CC3)C2)c1.
What is the InChIKey of 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine?
The InChIKey is RJXHAMRUOQOPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF3N2/c16-11-6-10(15(17,18)19)7-14(8-11)21-5-1-2-13(9-21)20-12-3-4-12/h6-8,12-13,20H,1-5,9H2.
What are the key properties of 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine?
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine has a molecular weight of 363.22 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine is sourced from PubChem (CID 65489266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).