1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine

C15H20BrF3N2 — CID 64855894

IUPAC1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(c2ccc(Br)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20BrF3N2/c1-2-7-20-11-4-3-8-21(10-11)12-5-6-14(16)13(9-12)15(17,18)19/h5-6,9,11,20H,2-4,7-8,10H2,1H3
InChIKeyACBXHOQMKGTIRH-UHFFFAOYSA-N
MW365.24 g/mol
LogP4.44
Rot. Bonds4

About 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine

1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine (PubChem CID 64855894) has the molecular formula C15H20BrF3N2 and a molecular weight of 365.24 g/mol. Its IUPAC name is 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
PubChem CID64855894
Molecular FormulaC15H20BrF3N2
Molecular Weight365.24 g/mol
Exact Mass364.08
IUPAC Name1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
SMILESCCCNC1CCCN(c2ccc(Br)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H20BrF3N2/c1-2-7-20-11-4-3-8-21(10-11)12-5-6-14(16)13(9-12)15(17,18)19/h5-6,9,11,20H,2-4,7-8,10H2,1H3
InChIKeyACBXHOQMKGTIRH-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine?
The IUPAC name of 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine (CID 64855894) is 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine?
The canonical SMILES for 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine is CCCNC1CCCN(c2ccc(Br)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine?
The InChIKey is ACBXHOQMKGTIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF3N2/c1-2-7-20-11-4-3-8-21(10-11)12-5-6-14(16)13(9-12)15(17,18)19/h5-6,9,11,20H,2-4,7-8,10H2,1H3.
What are the key properties of 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine?
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine has a molecular weight of 365.24 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 64855894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).