4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline

C15H20F4N2 — CID 115053481

IUPAC4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESCC(F)c1ccc(NCC2CCCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F4N2/c1-10(16)11-5-6-14(13(8-11)15(17,18)19)21-9-12-4-2-3-7-20-12/h5-6,8,10,12,20-21H,2-4,7,9H2,1H3
InChIKeyLRBCIWPDRWSINJ-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.29
Rot. Bonds4

About 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline

4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 115053481) has the molecular formula C15H20F4N2 and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID115053481
Molecular FormulaC15H20F4N2
Molecular Weight304.33 g/mol
Exact Mass304.16
IUPAC Name4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
SMILESCC(F)c1ccc(NCC2CCCCN2)c(C(F)(F)F)c1
InChIInChI=1S/C15H20F4N2/c1-10(16)11-5-6-14(13(8-11)15(17,18)19)21-9-12-4-2-3-7-20-12/h5-6,8,10,12,20-21H,2-4,7,9H2,1H3
InChIKeyLRBCIWPDRWSINJ-UHFFFAOYSA-N
XLogP4.29
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethyl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053274
4-(2-fluoropropan-2-yl)-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053482
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
CID 115041678
4-chloro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 103693086
N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53404787
N-(cycloheptylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53404785
4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)aniline
CID 115053478
2-chloro-N-(piperidin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 106633355
2-methyl-N-(piperidin-2-ylmethyl)-4-propan-2-yloxyaniline
CID 106633661
2-[[3-(1-fluoroethyl)phenoxy]methyl]piperidine
CID 115042134
4-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)-2-(trifluoromethyl)aniline
CID 79541571
2,3,4-trifluoro-N-(piperidin-2-ylmethyl)aniline
CID 106632842

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline (CID 115053481) is 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline is CC(F)c1ccc(NCC2CCCCN2)c(C(F)(F)F)c1.
What is the InChIKey of 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is LRBCIWPDRWSINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N2/c1-10(16)11-5-6-14(13(8-11)15(17,18)19)21-9-12-4-2-3-7-20-12/h5-6,8,10,12,20-21H,2-4,7,9H2,1H3.
What are the key properties of 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline?
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 304.33 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 115053481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).