4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline

C15H21F3N2 — CID 115052335

IUPAC4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline
SMILESCC(F)(F)c1ccc(NCCC2CCNCC2)c(F)c1
InChIInChI=1S/C15H21F3N2/c1-15(17,18)12-2-3-14(13(16)10-12)20-9-6-11-4-7-19-8-5-11/h2-3,10-11,19-20H,4-9H2,1H3
InChIKeyNTQANLXIODLCOY-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.74
Rot. Bonds5

About 4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline

4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline (PubChem CID 115052335) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline
PubChem CID115052335
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC Name4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline
SMILESCC(F)(F)c1ccc(NCCC2CCNCC2)c(F)c1
InChIInChI=1S/C15H21F3N2/c1-15(17,18)12-2-3-14(13(16)10-12)20-9-6-11-4-7-19-8-5-11/h2-3,10-11,19-20H,4-9H2,1H3
InChIKeyNTQANLXIODLCOY-UHFFFAOYSA-N
XLogP3.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(2-piperidin-4-ylethyl)-4-(trifluoromethyl)aniline
CID 115054215
4-(1,1-difluoroethyl)-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115047377
2-fluoro-4-(1-fluoroethyl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054195
2-chloro-4-(2-fluoropropan-2-yl)-N-(2-pyrrolidin-3-ylethyl)aniline
CID 115054202
4-(fluoromethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
CID 115054203
N'-cyclopropyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-methylethane-1,2-diamine
CID 103911705
3-fluoro-4-(2-pyrrolidin-3-ylethylamino)benzamide
CID 63623074
4-(1-fluoroethyl)-2-methyl-N-(2-piperidin-4-ylethyl)aniline
CID 115054208
N-(2-piperidin-4-ylethyl)aniline
CID 4778278
4-ethoxy-3-fluoro-N-(2-piperidin-4-ylethyl)aniline
CID 115211522
2-methyl-N-(piperidin-4-ylmethyl)-5-(trifluoromethyl)aniline
CID 79708126
1-N-(2-cyclopentylethyl)-2-fluorobenzene-1,4-diamine
CID 60919358

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline?
The IUPAC name of 4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline (CID 115052335) is 4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline.
What is the SMILES notation for 4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline?
The canonical SMILES for 4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline is CC(F)(F)c1ccc(NCCC2CCNCC2)c(F)c1.
What is the InChIKey of 4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline?
The InChIKey is NTQANLXIODLCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-15(17,18)12-2-3-14(13(16)10-12)20-9-6-11-4-7-19-8-5-11/h2-3,10-11,19-20H,4-9H2,1H3.
What are the key properties of 4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline?
4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline has a molecular weight of 286.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-2-fluoro-N-(2-piperidin-4-ylethyl)aniline is sourced from PubChem (CID 115052335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).