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

C15H23FN2O — CID 170862945

IUPAC1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
SMILESCOc1c(F)cccc1CCCN1CCN(C)CC1
InChIInChI=1S/C15H23FN2O/c1-17-9-11-18(12-10-17)8-4-6-13-5-3-7-14(16)15(13)19-2/h3,5,7H,4,6,8-12H2,1-2H3
InChIKeyKFFQZADJCLYPIO-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.01
Rot. Bonds5

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

1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine (PubChem CID 170862945) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
PubChem CID170862945
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine
SMILESCOc1c(F)cccc1CCCN1CCN(C)CC1
InChIInChI=1S/C15H23FN2O/c1-17-9-11-18(12-10-17)8-4-6-13-5-3-7-14(16)15(13)19-2/h3,5,7H,4,6,8-12H2,1-2H3
InChIKeyKFFQZADJCLYPIO-UHFFFAOYSA-N
XLogP2.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]propyl]-4-methylpiperazine
CID 170863705
1-(3-bromopropyl)-3-fluoro-2-methoxybenzene
CID 118853515
1-methyl-4-[3-[2-[2-[3-(4-methylpiperazin-1-yl)propyl]phenyl]phenyl]propyl]piperazine
CID 170863059
4-[3-[3-methoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propyl]morpholine
CID 170870699
1-[3-[3-methoxy-2-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]propyl]-4-methylpiperazine
CID 170863973
1-methyl-4-[3-(4-methylpiperazin-1-yl)propyl]indazole
CID 170862469
1-methyl-4-[3-[2-(trifluoromethyl)phenyl]propyl]piperazine
CID 170862295
1-[3-fluoro-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 115952490
1-methyl-4-[3-(2,3,4,5-tetrafluorophenyl)propyl]piperazine
CID 170862462
1-[(3-fluoro-2-methoxyphenyl)methyl]piperazine
CID 82509697
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
7-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864404

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine?
The IUPAC name of 1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine (CID 170862945) is 1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine.
What is the SMILES notation for 1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine?
The canonical SMILES for 1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine is COc1c(F)cccc1CCCN1CCN(C)CC1.
What is the InChIKey of 1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine?
The InChIKey is KFFQZADJCLYPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-17-9-11-18(12-10-17)8-4-6-13-5-3-7-14(16)15(13)19-2/h3,5,7H,4,6,8-12H2,1-2H3.
What are the key properties of 1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine?
1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine has a molecular weight of 266.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluoro-2-methoxyphenyl)propyl]-4-methylpiperazine is sourced from PubChem (CID 170862945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).