1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol

C17H24FNO2 — CID 142475276

IUPAC1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol
SMILESCC(C)=CC(COc1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C17H24FNO2/c1-13(2)11-15(19-9-7-16(20)8-10-19)12-21-17-5-3-14(18)4-6-17/h3-6,11,15-16,20H,7-10,12H2,1-2H3
InChIKeyGRNUESBDZJOYSH-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.00
Rot. Bonds5

About 1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol

1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol (PubChem CID 142475276) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol
PubChem CID142475276
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol
SMILESCC(C)=CC(COc1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C17H24FNO2/c1-13(2)11-15(19-9-7-16(20)8-10-19)12-21-17-5-3-14(18)4-6-17/h3-6,11,15-16,20H,7-10,12H2,1-2H3
InChIKeyGRNUESBDZJOYSH-UHFFFAOYSA-N
XLogP3.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol?
The IUPAC name of 1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol (CID 142475276) is 1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol is CC(C)=CC(COc1ccc(F)cc1)N1CCC(O)CC1.
What is the InChIKey of 1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol?
The InChIKey is GRNUESBDZJOYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-13(2)11-15(19-9-7-16(20)8-10-19)12-21-17-5-3-14(18)4-6-17/h3-6,11,15-16,20H,7-10,12H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol?
1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol has a molecular weight of 293.38 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenoxy)-4-methylpent-3-en-2-yl]piperidin-4-ol is sourced from PubChem (CID 142475276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).