N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline

C15H21F3N2 — CID 62646330

IUPACN-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline
SMILESCC(CN1CCCCC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2/c1-12(11-20-9-3-2-4-10-20)19-14-7-5-13(6-8-14)15(16,17)18/h5-8,12,19H,2-4,9-11H2,1H3
InChIKeyBVAKKACHNQMSGY-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.99
Rot. Bonds4

About N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline

N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline (PubChem CID 62646330) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline
PubChem CID62646330
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline
SMILESCC(CN1CCCCC1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2/c1-12(11-20-9-3-2-4-10-20)19-14-7-5-13(6-8-14)15(16,17)18/h5-8,12,19H,2-4,9-11H2,1H3
InChIKeyBVAKKACHNQMSGY-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline
CID 107303520
1-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61475029
N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline
CID 62646483
6-hydrazinyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720566
2-(azepan-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 117244530
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43307675
4-methyl-1-N-(1-pyrrolidin-1-ylpropan-2-yl)benzene-1,3-diamine
CID 62912151
3-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 117244790
1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 43435870
5-fluoro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 61474336
6-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridazin-3-amine
CID 61474335
5-bromo-N-(1-pyrrolidin-1-ylpropan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796067

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline (CID 62646330) is N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline is CC(CN1CCCCC1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline?
The InChIKey is BVAKKACHNQMSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-12(11-20-9-3-2-4-10-20)19-14-7-5-13(6-8-14)15(16,17)18/h5-8,12,19H,2-4,9-11H2,1H3.
What are the key properties of N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline?
N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline has a molecular weight of 286.34 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 62646330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).