1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine

C26H30FN3O — CID 15016117

IUPAC1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC(C)(Cc2ccc(F)cc2)c2ccccn2)CC1
InChIInChI=1S/C26H30FN3O/c1-26(25-9-5-6-14-28-25,19-21-10-12-22(27)13-11-21)20-29-15-17-30(18-16-29)23-7-3-4-8-24(23)31-2/h3-14H,15-20H2,1-2H3
InChIKeyHFZSEZFDUGEXNZ-UHFFFAOYSA-N
MW419.54 g/mol
LogP4.55
Rot. Bonds7

About 1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine

1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 15016117) has the molecular formula C26H30FN3O and a molecular weight of 419.54 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine
PubChem CID15016117
Molecular FormulaC26H30FN3O
Molecular Weight419.54 g/mol
Exact Mass419.24
IUPAC Name1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CC(C)(Cc2ccc(F)cc2)c2ccccn2)CC1
InChIInChI=1S/C26H30FN3O/c1-26(25-9-5-6-14-28-25,19-21-10-12-22(27)13-11-21)20-29-15-17-30(18-16-29)23-7-3-4-8-24(23)31-2/h3-14H,15-20H2,1-2H3
InChIKeyHFZSEZFDUGEXNZ-UHFFFAOYSA-N
XLogP4.55
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 13900359
1-(2-Methoxy-phenyl)-4-(5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 14198545
1-(2-Ethoxyphenyl)-4-(3-pyridinylmethyl)piperazine
CID 792584
1-(2-Methoxy-phenyl)-4-(1-phenyl-1H-pyrrol-3-ylmethyl)-piperazine
CID 10450375
1-(2-Methoxy-phenyl)-4-(1-methyl-5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 44364142
2-(2-Fluorophenyl)-5-[(5-methoxy-3-pyridinyl)methyl]pyridine
CID 145981780
1-[3-[4-(4-Fluorophenyl)phenoxy]propyl]-4-pyridin-4-ylpiperazine
CID 162662563
1-[3-(4-Benzylphenoxy)propyl]-4-pyridin-4-ylpiperazine
CID 162666847
4-(4-Methoxyphenyl)-2,2':6',2''-terpyridine
CID 4105676
3-(4-Methoxybenzylidene)anabaseine
CID 11601561
1-[5-(2,6-Difluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 14198550
7-{4-[2-(4-Fluoro-phenyl)-pyridin-4-ylmethyl]-piperazin-1-yl}-3H-benzooxazol-2-one
CID 15410404

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine (CID 15016117) is 1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CC(C)(Cc2ccc(F)cc2)c2ccccn2)CC1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is HFZSEZFDUGEXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O/c1-26(25-9-5-6-14-28-25,19-21-10-12-22(27)13-11-21)20-29-15-17-30(18-16-29)23-7-3-4-8-24(23)31-2/h3-14H,15-20H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine?
1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 419.54 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2-methyl-2-pyridin-2-ylpropyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 15016117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).