2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol

C15H24FN3O2 — CID 63594357

IUPAC2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol
SMILESCCCOc1cc(N2CCN(CCO)CC2)c(N)cc1F
InChIInChI=1S/C15H24FN3O2/c1-2-9-21-15-11-14(13(17)10-12(15)16)19-5-3-18(4-6-19)7-8-20/h10-11,20H,2-9,17H2,1H3
InChIKeyQHMHFNUMOOQFMT-UHFFFAOYSA-N
MW297.37 g/mol
LogP1.31
Rot. Bonds6

About 2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol

2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol (PubChem CID 63594357) has the molecular formula C15H24FN3O2 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol
PubChem CID63594357
Molecular FormulaC15H24FN3O2
Molecular Weight297.37 g/mol
Exact Mass297.19
IUPAC Name2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol
SMILESCCCOc1cc(N2CCN(CCO)CC2)c(N)cc1F
InChIInChI=1S/C15H24FN3O2/c1-2-9-21-15-11-14(13(17)10-12(15)16)19-5-3-18(4-6-19)7-8-20/h10-11,20H,2-9,17H2,1H3
InChIKeyQHMHFNUMOOQFMT-UHFFFAOYSA-N
XLogP1.31
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Piperazineethanol, alpha-((4-aminophenoxy)methyl)-4-(3-methoxyphenyl)-
CID 99097
1-Piperazineethanol, alpha-((3-aminophenoxy)methyl)-4-phenyl-
CID 99098
alpha-((4-Aminophenoxy)methyl)-4-(4-methoxyphenyl)-1-piperazineethanol
CID 3049115
1-Piperazineethanol, 4-(m-methoxyphenyl)-alpha-phenoxymethyl-
CID 3050370
Acetamide, N-(4-(3-(4-(3-fluorophenyl)-1-piperazinyl)-2-hydroxypropoxy)-3-methoxyphenyl)-
CID 3050736
1-(3-Ethoxyphenyl)-piperazine
CID 14519634
1-[3-[4-(4-Fluorophenoxy)butoxy]phenyl]piperazine
CID 71541073
2-[3-(1,4-diazepan-1-yl)-5-fluorophenoxy]-N,N-dimethylethanamine
CID 122182203
2-[5-(1,4-diazepan-1-yl)-2,3-difluorophenoxy]-N,N-dimethylethanamine
CID 122182204
2-(3-fluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine
CID 122182208
2-(2,3-difluoro-5-piperazin-1-ylphenoxy)-N,N-dimethylethanamine
CID 122182209
2-[3-fluoro-5-(4-methylpiperazin-1-yl)phenoxy]-N,N-dimethylethanamine
CID 122182211

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol (CID 63594357) is 2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol is CCCOc1cc(N2CCN(CCO)CC2)c(N)cc1F.
What is the InChIKey of 2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol?
The InChIKey is QHMHFNUMOOQFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O2/c1-2-9-21-15-11-14(13(17)10-12(15)16)19-5-3-18(4-6-19)7-8-20/h10-11,20H,2-9,17H2,1H3.
What are the key properties of 2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol?
2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol has a molecular weight of 297.37 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-4-fluoro-5-propoxyphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 63594357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).