1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol

C16H26FN3O — CID 82135958

IUPAC1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
SMILESCN1CCC(N(C)CCC(O)c2ccc(F)c(N)c2)CC1
InChIInChI=1S/C16H26FN3O/c1-19-8-5-13(6-9-19)20(2)10-7-16(21)12-3-4-14(17)15(18)11-12/h3-4,11,13,16,21H,5-10,18H2,1-2H3
InChIKeySAHOZWUZLDXBHH-UHFFFAOYSA-N
MW295.40 g/mol
LogP1.86
Rot. Bonds5

About 1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol

1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol (PubChem CID 82135958) has the molecular formula C16H26FN3O and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
PubChem CID82135958
Molecular FormulaC16H26FN3O
Molecular Weight295.40 g/mol
Exact Mass295.21
IUPAC Name1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol
SMILESCN1CCC(N(C)CCC(O)c2ccc(F)c(N)c2)CC1
InChIInChI=1S/C16H26FN3O/c1-19-8-5-13(6-9-19)20(2)10-7-16(21)12-3-4-14(17)15(18)11-12/h3-4,11,13,16,21H,5-10,18H2,1-2H3
InChIKeySAHOZWUZLDXBHH-UHFFFAOYSA-N
XLogP1.86
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol?
The IUPAC name of 1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol (CID 82135958) is 1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol?
The canonical SMILES for 1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol is CN1CCC(N(C)CCC(O)c2ccc(F)c(N)c2)CC1.
What is the InChIKey of 1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol?
The InChIKey is SAHOZWUZLDXBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3O/c1-19-8-5-13(6-9-19)20(2)10-7-16(21)12-3-4-14(17)15(18)11-12/h3-4,11,13,16,21H,5-10,18H2,1-2H3.
What are the key properties of 1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol?
1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol has a molecular weight of 295.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorophenyl)-3-[methyl-(1-methylpiperidin-4-yl)amino]propan-1-ol is sourced from PubChem (CID 82135958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).