N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline

C14H19F3N2 — CID 54807271

IUPACN-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCCN2CCCCC2)c1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)12-5-4-6-13(11-12)18-7-10-19-8-2-1-3-9-19/h4-6,11,18H,1-3,7-10H2
InChIKeyOMNSRIXHJSNZNL-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.60
Rot. Bonds4

About N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline

N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline (PubChem CID 54807271) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
PubChem CID54807271
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NCCN2CCCCC2)c1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)12-5-4-6-13(11-12)18-7-10-19-8-2-1-3-9-19/h4-6,11,18H,1-3,7-10H2
InChIKeyOMNSRIXHJSNZNL-UHFFFAOYSA-N
XLogP3.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline
CID 62646483
N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
CID 62575706
3-(2-piperidin-1-ylethylamino)benzonitrile
CID 102815794
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663
N-[2-(azepan-1-yl)ethyl]-3-methoxyaniline
CID 54807048
(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 757431
3-nitro-N-(2-piperidin-1-ylethyl)aniline
CID 54967768
3-ethoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54807153
N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
CID 42852643
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-3-(trifluoromethyl)aniline
CID 7523866
N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042
N-(2-pyrrolidin-1-ylethyl)-4-(trichloromethyl)-6-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 118250345

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline?
The IUPAC name of N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline (CID 54807271) is N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NCCN2CCCCC2)c1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline?
The InChIKey is OMNSRIXHJSNZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)12-5-4-6-13(11-12)18-7-10-19-8-2-1-3-9-19/h4-6,11,18H,1-3,7-10H2.
What are the key properties of N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline?
N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline has a molecular weight of 272.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)aniline is sourced from PubChem (CID 54807271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).