[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol

C13H19FN2O2 — CID 107258751

IUPAC[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
SMILESCOc1cc(N2CCC(CO)CC2)c(F)cc1N
InChIInChI=1S/C13H19FN2O2/c1-18-13-7-12(10(14)6-11(13)15)16-4-2-9(8-17)3-5-16/h6-7,9,17H,2-5,8,15H2,1H3
InChIKeyOVSMCINGCUWNOC-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.63
Rot. Bonds3

About [1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol

[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol (PubChem CID 107258751) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is [1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
PubChem CID107258751
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC Name[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
SMILESCOc1cc(N2CCC(CO)CC2)c(F)cc1N
InChIInChI=1S/C13H19FN2O2/c1-18-13-7-12(10(14)6-11(13)15)16-4-2-9(8-17)3-5-16/h6-7,9,17H,2-5,8,15H2,1H3
InChIKeyOVSMCINGCUWNOC-UHFFFAOYSA-N
XLogP1.63
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline
CID 107259136
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846
2-[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]acetamide
CID 107259017
5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline
CID 107259299
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 107259191
5-fluoro-2-methoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236644
N-[[1-(2-amino-4-fluoro-5-methoxyphenyl)piperidin-4-yl]methyl]acetamide
CID 102735902
5-fluoro-2-methoxy-4-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 107259226
[1-(2-amino-5-ethoxy-4-fluorophenyl)pyrrolidin-3-yl]methanol
CID 112624054
[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
CID 43133145
1-[4-(4-amino-2-fluoro-5-methoxyphenyl)-1,4-diazepan-1-yl]ethanone
CID 107259042
3-[1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-2-yl]propan-1-ol
CID 107259161

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol (CID 107258751) is [1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol is COc1cc(N2CCC(CO)CC2)c(F)cc1N.
What is the InChIKey of [1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol?
The InChIKey is OVSMCINGCUWNOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-18-13-7-12(10(14)6-11(13)15)16-4-2-9(8-17)3-5-16/h6-7,9,17H,2-5,8,15H2,1H3.
What are the key properties of [1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol?
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol has a molecular weight of 254.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol is sourced from PubChem (CID 107258751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).