3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline

C25H30FN3OS — CID 42867723

IUPAC3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OC(CCN2CCN(c3ccc(F)cc3)CC2)c2cccs2)c1
InChIInChI=1S/C25H30FN3OS/c1-27(2)22-5-3-6-23(19-22)30-24(25-7-4-18-31-25)12-13-28-14-16-29(17-15-28)21-10-8-20(26)9-11-21/h3-11,18-19,24H,12-17H2,1-2H3
InChIKeyGLHQOASZXWYXAI-UHFFFAOYSA-N
MW439.60 g/mol
LogP5.29
Rot. Bonds8

About 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline

3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline (PubChem CID 42867723) has the molecular formula C25H30FN3OS and a molecular weight of 439.60 g/mol. Its IUPAC name is 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline
PubChem CID42867723
Molecular FormulaC25H30FN3OS
Molecular Weight439.60 g/mol
Exact Mass439.21
IUPAC Name3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline
SMILESCN(C)c1cccc(OC(CCN2CCN(c3ccc(F)cc3)CC2)c2cccs2)c1
InChIInChI=1S/C25H30FN3OS/c1-27(2)22-5-3-6-23(19-22)30-24(25-7-4-18-31-25)12-13-28-14-16-29(17-15-28)21-10-8-20(26)9-11-21/h3-11,18-19,24H,12-17H2,1-2H3
InChIKeyGLHQOASZXWYXAI-UHFFFAOYSA-N
XLogP5.29
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine
CID 42867847
1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine
CID 10623767
(3R,5S)-3,5-dimethyl-1-[3-(1-thiophen-2-ylpentoxy)phenyl]piperazine
CID 159147742
2,6-ditert-butyl-4-[(R)-[4-(dimethylamino)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenol
CID 28720985
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 27420842
N-[2-[4-(dimethylamino)phenyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 43957215
1-[3-(1,3-benzodioxol-5-yl)-3-(3-methyl-5-propan-2-ylphenoxy)propyl]-4-(4-fluorophenyl)piperazine
CID 42867967
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-thiophen-2-ylacetic acid
CID 86309571
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(3-methoxyphenyl)ethanone
CID 5090901
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 42389425
1-[3-(1,3-benzodioxol-5-yl)-3-(2-chlorophenoxy)propyl]-4-(4-fluorophenyl)piperazine
CID 42867963
N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 7086561

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline?
The IUPAC name of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline (CID 42867723) is 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline.
What is the SMILES notation for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline?
The canonical SMILES for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline is CN(C)c1cccc(OC(CCN2CCN(c3ccc(F)cc3)CC2)c2cccs2)c1.
What is the InChIKey of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline?
The InChIKey is GLHQOASZXWYXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3OS/c1-27(2)22-5-3-6-23(19-22)30-24(25-7-4-18-31-25)12-13-28-14-16-29(17-15-28)21-10-8-20(26)9-11-21/h3-11,18-19,24H,12-17H2,1-2H3.
What are the key properties of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline?
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline has a molecular weight of 439.60 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropoxy]-N,N-dimethylaniline is sourced from PubChem (CID 42867723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).