1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine

C22H29FN2O2 — CID 170863622

IUPAC1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
SMILESCOc1ccc(CCCN2CCN(C)CC2)cc1COc1ccccc1F
InChIInChI=1S/C22H29FN2O2/c1-24-12-14-25(15-13-24)11-5-6-18-9-10-21(26-2)19(16-18)17-27-22-8-4-3-7-20(22)23/h3-4,7-10,16H,5-6,11-15,17H2,1-2H3
InChIKeyGFOOORQVAVBWLC-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.59
Rot. Bonds8

About 1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine

1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine (PubChem CID 170863622) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
PubChem CID170863622
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
SMILESCOc1ccc(CCCN2CCN(C)CC2)cc1COc1ccccc1F
InChIInChI=1S/C22H29FN2O2/c1-24-12-14-25(15-13-24)11-5-6-18-9-10-21(26-2)19(16-18)17-27-22-8-4-3-7-20(22)23/h3-4,7-10,16H,5-6,11-15,17H2,1-2H3
InChIKeyGFOOORQVAVBWLC-UHFFFAOYSA-N
XLogP3.59
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-[(2,3-dichlorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863546
3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propan-1-amine
CID 165355065
1-[3-[3-[(4-iodophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863549
1-[3-[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863506
1-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]azepane
CID 170863657
4-[[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]morpholine
CID 170863421
1-[3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]propyl]-4-methylpiperazine
CID 170863606
1-[3-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]propyl]-4-methylpiperazine
CID 170863483
1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705
1-[3-[4-(2-methoxyphenyl)phenyl]propyl]-4-methylpiperazine
CID 170863135
1-[3-(1,3-benzodioxol-5-yl)propyl]-4-[2-(2-fluorophenoxy)ethyl]piperazine
CID 67457316
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine (CID 170863622) is 1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine is COc1ccc(CCCN2CCN(C)CC2)cc1COc1ccccc1F.
What is the InChIKey of 1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine?
The InChIKey is GFOOORQVAVBWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-24-12-14-25(15-13-24)11-5-6-18-9-10-21(26-2)19(16-18)17-27-22-8-4-3-7-20(22)23/h3-4,7-10,16H,5-6,11-15,17H2,1-2H3.
What are the key properties of 1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine?
1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine has a molecular weight of 372.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).