N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline

C14H19F3N2 — CID 62646483

IUPACN-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCN2CCCCC2)cc1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)12-4-6-13(7-5-12)18-8-11-19-9-2-1-3-10-19/h4-7,18H,1-3,8-11H2
InChIKeyPZHHBQLLXBOASC-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.60
Rot. Bonds4

About N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline

N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline (PubChem CID 62646483) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline
PubChem CID62646483
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC NameN-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCCN2CCCCC2)cc1
InChIInChI=1S/C14H19F3N2/c15-14(16,17)12-4-6-13(7-5-12)18-8-11-19-9-2-1-3-10-19/h4-7,18H,1-3,8-11H2
InChIKeyPZHHBQLLXBOASC-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)-3-(trifluoromethyl)aniline
CID 54807271
4-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573511
4-nitro-N-(2-piperidin-1-ylethyl)aniline
CID 22048125
4-N-[2-(azepan-1-yl)ethyl]benzene-1,2,4-triamine
CID 106750490
N-(1-piperidin-1-ylpropan-2-yl)-4-(trifluoromethyl)aniline
CID 62646330
3-piperidin-1-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]propan-1-amine
CID 58788403
3-chloro-4-methyl-N-(2-piperidin-1-ylethyl)aniline
CID 54807377
3,4-dichloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 82089741
1-N-[2-(azepan-1-yl)ethyl]-4-methylbenzene-1,3-diamine
CID 62911471
N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
CID 42852643
4-nitro-N-(2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)aniline
CID 60658945
2-N-ethyl-6-N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718349

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline?
The IUPAC name of N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline (CID 62646483) is N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCCN2CCCCC2)cc1.
What is the InChIKey of N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline?
The InChIKey is PZHHBQLLXBOASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c15-14(16,17)12-4-6-13(7-5-12)18-8-11-19-9-2-1-3-10-19/h4-7,18H,1-3,8-11H2.
What are the key properties of N-(2-piperidin-1-ylethyl)-4-(trifluoromethyl)aniline?
N-(2-piperidin-1-ylethyl)-4-(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)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 62646483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).