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

C14H21FN2O — CID 50999666

IUPAC1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine
SMILESCC1CNCCN1CCCOc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-12-11-16-7-9-17(12)8-2-10-18-14-5-3-13(15)4-6-14/h3-6,12,16H,2,7-11H2,1H3
InChIKeyHGHJVILVGGATGG-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.89
Rot. Bonds5

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

1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine (PubChem CID 50999666) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine.

Molecular Properties

Compound Name1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine
PubChem CID50999666
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine
SMILESCC1CNCCN1CCCOc1ccc(F)cc1
InChIInChI=1S/C14H21FN2O/c1-12-11-16-7-9-17(12)8-2-10-18-14-5-3-13(15)4-6-14/h3-6,12,16H,2,7-11H2,1H3
InChIKeyHGHJVILVGGATGG-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[3-(3-iodophenoxy)propyl]-2-methylpiperazine;dihydrochloride
CID 170453950
7-methyl-1-[3-(4-methylphenoxy)propyl]-1,4-diazepane
CID 82246475
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperidin-4-amine
CID 67623117
1-(3-methoxypropyl)-2-methylpiperazine
CID 62674205
(2R)-2-methyl-1-[2-(4-nitrophenoxy)ethyl]piperazine
CID 95656887
(2R)-1-[4-(2-chlorophenoxy)butyl]-2-methylpiperazine
CID 95656879
(2R)-1-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methylpiperazine;hydrochloride
CID 120966667
1-[2-(4-fluorophenoxy)ethyl]piperazine-2-carbonitrile
CID 79085130
(2R)-1-(3-fluoropropyl)-2-methylpiperazine
CID 82761622
1-(3-phenoxypropyl)-2-propan-2-ylpiperazine
CID 64832939
2-cyclopropyl-1-(3-phenoxypropyl)piperazine
CID 64833541

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine?
The IUPAC name of 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine (CID 50999666) is 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine.
What is the SMILES notation for 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine?
The canonical SMILES for 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine is CC1CNCCN1CCCOc1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine?
The InChIKey is HGHJVILVGGATGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-12-11-16-7-9-17(12)8-2-10-18-14-5-3-13(15)4-6-14/h3-6,12,16H,2,7-11H2,1H3.
What are the key properties of 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine?
1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine has a molecular weight of 252.33 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenoxy)propyl]-2-methylpiperazine is sourced from PubChem (CID 50999666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).