1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine

C15H20BrF3N2 — CID 65491427

IUPAC1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(Br)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H20BrF3N2/c1-2-5-20-13-3-6-21(7-4-13)14-9-11(15(17,18)19)8-12(16)10-14/h8-10,13,20H,2-7H2,1H3
InChIKeyQDLSRVCAUYBFCH-UHFFFAOYSA-N
MW365.24 g/mol
LogP4.44
Rot. Bonds4

About 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine

1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine (PubChem CID 65491427) has the molecular formula C15H20BrF3N2 and a molecular weight of 365.24 g/mol. Its IUPAC name is 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
PubChem CID65491427
Molecular FormulaC15H20BrF3N2
Molecular Weight365.24 g/mol
Exact Mass364.08
IUPAC Name1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(c2cc(Br)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H20BrF3N2/c1-2-5-20-13-3-6-21(7-4-13)14-9-11(15(17,18)19)8-12(16)10-14/h8-10,13,20H,2-7H2,1H3
InChIKeyQDLSRVCAUYBFCH-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-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine?
The IUPAC name of 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine (CID 65491427) is 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine?
The canonical SMILES for 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine is CCCNC1CCN(c2cc(Br)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine?
The InChIKey is QDLSRVCAUYBFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF3N2/c1-2-5-20-13-3-6-21(7-4-13)14-9-11(15(17,18)19)8-12(16)10-14/h8-10,13,20H,2-7H2,1H3.
What are the key properties of 1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine?
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-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-[3-bromo-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 65491427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).