3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline

C25H28F2N2 — CID 142492419

IUPAC3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline
SMILESC/C(=C\c1c(F)cc(-c2cc(F)c3c(c2)=CCC=3)cc1N(C)C)C1CCNCC1
InChIInChI=1S/C25H28F2N2/c1-16(17-7-9-28-10-8-17)11-22-24(27)14-20(15-25(22)29(2)3)19-12-18-5-4-6-21(18)23(26)13-19/h5-6,11-15,17,28H,4,7-10H2,1-3H3/b16-11+
InChIKeyBJUWWBZUFKGQPP-LFIBNONCSA-N
MW394.51 g/mol
LogP4.07
Rot. Bonds4

About 3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline

3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline (PubChem CID 142492419) has the molecular formula C25H28F2N2 and a molecular weight of 394.51 g/mol. Its IUPAC name is 3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline.

Molecular Properties

Compound Name3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline
PubChem CID142492419
Molecular FormulaC25H28F2N2
Molecular Weight394.51 g/mol
Exact Mass394.22
IUPAC Name3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline
SMILESC/C(=C\c1c(F)cc(-c2cc(F)c3c(c2)=CCC=3)cc1N(C)C)C1CCNCC1
InChIInChI=1S/C25H28F2N2/c1-16(17-7-9-28-10-8-17)11-22-24(27)14-20(15-25(22)29(2)3)19-12-18-5-4-6-21(18)23(26)13-19/h5-6,11-15,17,28H,4,7-10H2,1-3H3/b16-11+
InChIKeyBJUWWBZUFKGQPP-LFIBNONCSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline with MolForge

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Related Compounds

4-[(Z)-1-fluoroprop-1-en-2-yl]piperidine
CID 174359173
4-[(E)-but-2-en-2-yl]piperidine
CID 134286079
2,4,6-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 65100676
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
1-[5-[(E)-2-cyclopropylprop-1-enyl]-6-ethenyl-2,3-dihydro-1H-isoindol-4-yl]-1-methylhydrazine
CID 156799634
2,5-difluoro-N-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209874
2-piperidin-4-ylpropan-2-yl 2-(dimethylamino)benzoate
CID 155075976
N,N,3,5-tetramethyl-4-[(E)-2-piperidin-4-ylethenyl]aniline
CID 11687524
2-chloro-4,5-difluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 119443353
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2-fluoro-N,N,6-trimethyl-4-piperidin-4-ylbenzamide
CID 171365240
N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
CID 119442576

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline?
The IUPAC name of 3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline (CID 142492419) is 3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline.
What is the SMILES notation for 3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline?
The canonical SMILES for 3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline is C/C(=C\c1c(F)cc(-c2cc(F)c3c(c2)=CCC=3)cc1N(C)C)C1CCNCC1.
What is the InChIKey of 3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline?
The InChIKey is BJUWWBZUFKGQPP-LFIBNONCSA-N. The full InChI is InChI=1S/C25H28F2N2/c1-16(17-7-9-28-10-8-17)11-22-24(27)14-20(15-25(22)29(2)3)19-12-18-5-4-6-21(18)23(26)13-19/h5-6,11-15,17,28H,4,7-10H2,1-3H3/b16-11+.
What are the key properties of 3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline?
3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline has a molecular weight of 394.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(7-fluoro-2H-inden-5-yl)-N,N-dimethyl-2-[(E)-2-piperidin-4-ylprop-1-enyl]aniline is sourced from PubChem (CID 142492419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).