1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine

C22H29FN2O2 — CID 170863705

IUPAC1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
SMILESCOc1cccc(CCCN2CCN(C)CC2)c1OCc1cccc(F)c1
InChIInChI=1S/C22H29FN2O2/c1-24-12-14-25(15-13-24)11-5-8-19-7-4-10-21(26-2)22(19)27-17-18-6-3-9-20(23)16-18/h3-4,6-7,9-10,16H,5,8,11-15,17H2,1-2H3
InChIKeyBISBMJAKNXEINM-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.59
Rot. Bonds8

About 1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine

1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine (PubChem CID 170863705) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
PubChem CID170863705
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
SMILESCOc1cccc(CCCN2CCN(C)CC2)c1OCc1cccc(F)c1
InChIInChI=1S/C22H29FN2O2/c1-24-12-14-25(15-13-24)11-5-8-19-7-4-10-21(26-2)22(19)27-17-18-6-3-9-20(23)16-18/h3-4,6-7,9-10,16H,5,8,11-15,17H2,1-2H3
InChIKeyBISBMJAKNXEINM-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

4-[3-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propyl]morpholine
CID 170870431
4-[3-[2-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870384
4-[3-[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870445
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862945
1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine
CID 170863973
1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine
CID 46977040
1-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60908017
N-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 43471952
1-[3-[3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863622
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
1-[4-[3-(3-fluorophenyl)propyl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 110602349

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine (CID 170863705) is 1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine is COc1cccc(CCCN2CCN(C)CC2)c1OCc1cccc(F)c1.
What is the InChIKey of 1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine?
The InChIKey is BISBMJAKNXEINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-24-12-14-25(15-13-24)11-5-8-19-7-4-10-21(26-2)22(19)27-17-18-6-3-9-20(23)16-18/h3-4,6-7,9-10,16H,5,8,11-15,17H2,1-2H3.
What are the key properties of 1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine?
1-[3-[2-[(3-fluorophenyl)methoxy]-3-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-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine is sourced from PubChem (CID 170863705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).