2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline

C15H20BrF3N2 — CID 115511527

IUPAC2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline
SMILESCC(CNc1ccc(C(F)(F)F)cc1Br)N1CCCCC1
InChIInChI=1S/C15H20BrF3N2/c1-11(21-7-3-2-4-8-21)10-20-14-6-5-12(9-13(14)16)15(17,18)19/h5-6,9,11,20H,2-4,7-8,10H2,1H3
InChIKeyDDIBVNVRGZCXPD-UHFFFAOYSA-N
MW365.24 g/mol
LogP4.75
Rot. Bonds4

About 2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline

2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline (PubChem CID 115511527) has the molecular formula C15H20BrF3N2 and a molecular weight of 365.24 g/mol. Its IUPAC name is 2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline
PubChem CID115511527
Molecular FormulaC15H20BrF3N2
Molecular Weight365.24 g/mol
Exact Mass364.08
IUPAC Name2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline
SMILESCC(CNc1ccc(C(F)(F)F)cc1Br)N1CCCCC1
InChIInChI=1S/C15H20BrF3N2/c1-11(21-7-3-2-4-8-21)10-20-14-6-5-12(9-13(14)16)15(17,18)19/h5-6,9,11,20H,2-4,7-8,10H2,1H3
InChIKeyDDIBVNVRGZCXPD-UHFFFAOYSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(2-piperidin-1-ylpropylamino)benzonitrile
CID 82797280
2-bromo-4-(trifluoromethyl)-N-(2,3,3-trimethylbutyl)aniline
CID 83144259
2-bromo-N-(2-methylsulfanylpropyl)-4-(trifluoromethyl)aniline
CID 56636672
2-bromo-N-(3-methylbutyl)-4-(trifluoromethyl)aniline
CID 115511441
N-[2-bromo-4-(trifluoromethyl)phenyl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 115511431
2-bromo-N-[(1-methylcyclobutyl)methyl]-4-(trifluoromethyl)aniline
CID 114108414
2-(difluoromethyl)-1-N-(2-piperidin-1-ylpropyl)benzene-1,4-diamine
CID 63736165
5-bromo-4-fluoro-2-nitro-N-(2-pyrrolidin-1-ylpropyl)aniline
CID 116737259
5-bromo-N-(2-piperidin-1-ylpropyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796017
2-bromo-3-fluoro-4-(2-pyrrolidin-1-ylpropylamino)benzoic acid
CID 107540424
2-bromo-N-(2-cyclopropylethyl)-4-(trifluoromethyl)aniline
CID 113325985
N-[2-bromo-4-(trifluoromethyl)phenyl]-2-ethylbutane-1,4-diamine
CID 115512359

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline (CID 115511527) is 2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline is CC(CNc1ccc(C(F)(F)F)cc1Br)N1CCCCC1.
What is the InChIKey of 2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline?
The InChIKey is DDIBVNVRGZCXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrF3N2/c1-11(21-7-3-2-4-8-21)10-20-14-6-5-12(9-13(14)16)15(17,18)19/h5-6,9,11,20H,2-4,7-8,10H2,1H3.
What are the key properties of 2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline?
2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline has a molecular weight of 365.24 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-piperidin-1-ylpropyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 115511527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).