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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-bromo-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 65492020
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
CID 60860788
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
CID 63035987
1-(3,5-dimethoxyphenyl)-N-propylpiperidin-4-amine
CID 43315050
1-[3-bromo-5-(trifluoromethyl)phenyl]-N-cyclopropylpiperidin-3-amine
CID 65489266
1-[4-chloro-3-(trifluoromethyl)phenyl]-N-propylpyrrolidin-3-amine
CID 60860952
1-(3-methylphenyl)-N-propylpiperidin-4-amine
CID 43315485
N-propyl-1-(3,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 62809687
1-[4-bromo-3-(trifluoromethyl)phenyl]-N-propylpiperidin-3-amine
CID 64855894
N-[[1-[3-bromo-5-(trifluoromethyl)phenyl]triazol-4-yl]methyl]propan-1-amine
CID 66204894
N-butan-2-yl-1-[3-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 91329102
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453

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).