1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine

C15H23FN2O2 — CID 143046254

IUPAC1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine
SMILESCOCCCOc1ccc(N2CCN(C)CC2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-17-6-8-18(9-7-17)15-5-4-13(12-14(15)16)20-11-3-10-19-2/h4-5,12H,3,6-11H2,1-2H3
InChIKeyHJEKFKFBMGEPHV-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.99
Rot. Bonds6

About 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine

1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine (PubChem CID 143046254) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine
PubChem CID143046254
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine
SMILESCOCCCOc1ccc(N2CCN(C)CC2)c(F)c1
InChIInChI=1S/C15H23FN2O2/c1-17-6-8-18(9-7-17)15-5-4-13(12-14(15)16)20-11-3-10-19-2/h4-5,12H,3,6-11H2,1-2H3
InChIKeyHJEKFKFBMGEPHV-UHFFFAOYSA-N
XLogP1.99
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-fluoro-4-(2-methoxyethoxy)phenyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 23540092
8-[2-fluoro-4-[2-(2-methoxyethoxy)ethoxy]phenyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 118904933
1-[2-fluoro-4-(3-methoxypropoxy)phenyl]pyrrolidine;N-[1-(4-hydroxyphenyl)ethyl]acetamide
CID 144603208
1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine
CID 83134815
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
2-fluoro-4-(4-methoxybutoxy)-1-methylbenzene
CID 107171353
3-fluoro-N-(2-methoxyethyl)-N-methyl-4-(4-methylpiperazin-1-yl)benzamide
CID 166188604
1-[4-(3-methoxypropoxy)-2-methylphenyl]piperidin-4-amine
CID 83134817
1-[2-fluoro-4-(3-methylbutoxy)phenyl]piperazine
CID 65201736
O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine
CID 117351173
2-fluoro-4-[2-(3-methoxypropoxy)ethoxy]-1-methylbenzene
CID 107171281
1-[4-(2-methoxyethoxy)-2-(trifluoromethyl)phenyl]-4-(2-methoxyethyl)piperazine
CID 23540082

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine?
The IUPAC name of 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine (CID 143046254) is 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine is COCCCOc1ccc(N2CCN(C)CC2)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine?
The InChIKey is HJEKFKFBMGEPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-17-6-8-18(9-7-17)15-5-4-13(12-14(15)16)20-11-3-10-19-2/h4-5,12H,3,6-11H2,1-2H3.
What are the key properties of 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine?
1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine has a molecular weight of 282.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(3-methoxypropoxy)phenyl]-4-methylpiperazine is sourced from PubChem (CID 143046254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).