1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine

C24H26FN3O — CID 162662563

IUPAC1-[3-[4-(4-fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
SMILESC1CN(CCN1CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)F)C4=CC=NC=C4
InChIInChI=1S/C24H26FN3O/c25-22-6-2-20(3-7-22)21-4-8-24(9-5-21)29-19-1-14-27-15-17-28(18-16-27)23-10-12-26-13-11-23/h2-13H,1,14-19H2
InChIKeyFRXKBKSVWAOOCI-UHFFFAOYSA-N
MW391.50 g/mol
LogP4.50
Rot. Bonds7

About 1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine

1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine (PubChem CID 162662563) has the molecular formula C24H26FN3O and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine.

Molecular Properties

Compound Name1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
PubChem CID162662563
Molecular FormulaC24H26FN3O
Molecular Weight391.50 g/mol
Exact Mass391.21
IUPAC Name1-[3-[4-(4-fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
SMILESC1CN(CCN1CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)F)C4=CC=NC=C4
InChIInChI=1S/C24H26FN3O/c25-22-6-2-20(3-7-22)21-4-8-24(9-5-21)29-19-1-14-27-15-17-28(18-16-27)23-10-12-26-13-11-23/h2-13H,1,14-19H2
InChIKeyFRXKBKSVWAOOCI-UHFFFAOYSA-N
XLogP4.50
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity449

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[4-[(R)-(3-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]benzonitrile
CID 71777738
(2S,3S)-N-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 10499614
N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
N-(4-(benzyloxy)phenethyl)pyridin-4-amine
CID 44292136
2-Methyl-3-({[3'-(Piperidin-4-Yl)[1,1'-Biphenyl]-4-Yl]oxy}methyl)pyridine
CID 129900135
Cambridge id 5262610
CID 792584
{3-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-propyl}-quinolin-4-yl-amine; Oxalic acid
CID 10949464
{2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-ethyl}-quinolin-4-yl-amine; Oxalic acid
CID 11003651
4-[4-[3-(4-Pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]benzonitrile
CID 162645254
(4-Fluorophenyl)-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]phenyl]methanone
CID 162646656
N-phenyl-4-[3-(4-pyridin-4-ylpiperazin-1-yl)propoxy]aniline
CID 162657344
CID 162665446
CID 162665446

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine?
The IUPAC name of 1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine (CID 162662563) is 1-[3-[4-(4-fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine.
What is the SMILES notation for 1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine?
The canonical SMILES for 1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine is C1CN(CCN1CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)F)C4=CC=NC=C4.
What is the InChIKey of 1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine?
The InChIKey is FRXKBKSVWAOOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O/c25-22-6-2-20(3-7-22)21-4-8-24(9-5-21)29-19-1-14-27-15-17-28(18-16-27)23-10-12-26-13-11-23/h2-13H,1,14-19H2.
What are the key properties of 1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine?
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine has a molecular weight of 391.50 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine is sourced from PubChem (CID 162662563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).