1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine

C28H32FN3O — CID 25176733

IUPAC1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOc2ccc(-c3ccc(C/C(F)=C/Cc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C28H32FN3O/c1-31-15-17-32(18-16-31)19-20-33-28-13-9-24(10-14-28)25-8-12-27(30-22-25)21-26(29)11-7-23-5-3-2-4-6-23/h2-6,8-14,22H,7,15-21H2,1H3/b26-11-
InChIKeyFQUTVOAVYSDTFH-RAWMCFOBSA-N
MW445.58 g/mol
LogP5.01
Rot. Bonds9

About 1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine

1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine (PubChem CID 25176733) has the molecular formula C28H32FN3O and a molecular weight of 445.58 g/mol. Its IUPAC name is 1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine
PubChem CID25176733
Molecular FormulaC28H32FN3O
Molecular Weight445.58 g/mol
Exact Mass445.25
IUPAC Name1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOc2ccc(-c3ccc(C/C(F)=C/Cc4ccccc4)nc3)cc2)CC1
InChIInChI=1S/C28H32FN3O/c1-31-15-17-32(18-16-31)19-20-33-28-13-9-24(10-14-28)25-8-12-27(30-22-25)21-26(29)11-7-23-5-3-2-4-6-23/h2-6,8-14,22H,7,15-21H2,1H3/b26-11-
InChIKeyFQUTVOAVYSDTFH-RAWMCFOBSA-N
XLogP5.01
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.58
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine (CID 25176733) is 1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine is CN1CCN(CCOc2ccc(-c3ccc(C/C(F)=C/Cc4ccccc4)nc3)cc2)CC1.
What is the InChIKey of 1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine?
The InChIKey is FQUTVOAVYSDTFH-RAWMCFOBSA-N. The full InChI is InChI=1S/C28H32FN3O/c1-31-15-17-32(18-16-31)19-20-33-28-13-9-24(10-14-28)25-8-12-27(30-22-25)21-26(29)11-7-23-5-3-2-4-6-23/h2-6,8-14,22H,7,15-21H2,1H3/b26-11-.
What are the key properties of 1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine?
1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine has a molecular weight of 445.58 g/mol, XLogP of 5.01, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[6-[(Z)-2-fluoro-4-phenylbut-2-enyl]-3-pyridinyl]phenoxy]ethyl]-4-methylpiperazine is sourced from PubChem (CID 25176733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).