4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline

C25H28FN3O — CID 71478842

IUPAC4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline
SMILESCOc1ccc(N2CCN(c3ccc(F)cc3-c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H28FN3O/c1-27(2)21-7-4-19(5-8-21)24-18-20(26)6-13-25(24)29-16-14-28(15-17-29)22-9-11-23(30-3)12-10-22/h4-13,18H,14-17H2,1-3H3
InChIKeyUFHWLKCQLLDZAV-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.89
Rot. Bonds5

About 4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline

4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline (PubChem CID 71478842) has the molecular formula C25H28FN3O and a molecular weight of 405.52 g/mol. Its IUPAC name is 4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline
PubChem CID71478842
Molecular FormulaC25H28FN3O
Molecular Weight405.52 g/mol
Exact Mass405.22
IUPAC Name4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline
SMILESCOc1ccc(N2CCN(c3ccc(F)cc3-c3ccc(N(C)C)cc3)CC2)cc1
InChIInChI=1S/C25H28FN3O/c1-27(2)21-7-4-19(5-8-21)24-18-20(26)6-13-25(24)29-16-14-28(15-17-29)22-9-11-23(30-3)12-10-22/h4-13,18H,14-17H2,1-3H3
InChIKeyUFHWLKCQLLDZAV-UHFFFAOYSA-N
XLogP4.89
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline
CID 71478784
4-[6-methoxy-3-[4-(4-methylphenyl)piperazin-1-yl]-2-pyridinyl]-N,N-dimethylaniline
CID 53232375
4-[4-(5-fluoro-2-methoxyphenyl)phenyl]morpholine
CID 131890518
4-fluoro-5-[4-(4-methoxyphenyl)piperazin-1-yl]benzene-1,2-diamine
CID 11461237
1-(4-methoxyphenyl)piperidine
CID 10130315
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methoxyaniline
CID 91684405
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-N-(4-methoxyphenyl)methanesulfonamide
CID 2915624
1-[4-[3-(4-fluorophenyl)-7-methoxy-2H-chromen-4-yl]phenyl]-4-propan-2-ylpiperazine
CID 171637428
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
N-[4-(dimethylamino)phenyl]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 109033786
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791
ethane;1-methoxy-4-methylbenzene;N,N,4-trimethylaniline
CID 142497579

Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline (CID 71478842) is 4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline is COc1ccc(N2CCN(c3ccc(F)cc3-c3ccc(N(C)C)cc3)CC2)cc1.
What is the InChIKey of 4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline?
The InChIKey is UFHWLKCQLLDZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O/c1-27(2)21-7-4-19(5-8-21)24-18-20(26)6-13-25(24)29-16-14-28(15-17-29)22-9-11-23(30-3)12-10-22/h4-13,18H,14-17H2,1-3H3.
What are the key properties of 4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline?
4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline has a molecular weight of 405.52 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-2-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-N,N-dimethylaniline is sourced from PubChem (CID 71478842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).