3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol

C15H23FN2O3 — CID 66711213

IUPAC3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol
SMILESCOc1cc(C2CCN(CC(O)CO)CC2)c(F)cc1N
InChIInChI=1S/C15H23FN2O3/c1-21-15-6-12(13(16)7-14(15)17)10-2-4-18(5-3-10)8-11(20)9-19/h6-7,10-11,19-20H,2-5,8-9,17H2,1H3
InChIKeyFSEISWHBKUVNEQ-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.95
Rot. Bonds5

About 3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol

3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol (PubChem CID 66711213) has the molecular formula C15H23FN2O3 and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol
PubChem CID66711213
Molecular FormulaC15H23FN2O3
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Name3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol
SMILESCOc1cc(C2CCN(CC(O)CO)CC2)c(F)cc1N
InChIInChI=1S/C15H23FN2O3/c1-21-15-6-12(13(16)7-14(15)17)10-2-4-18(5-3-10)8-11(20)9-19/h6-7,10-11,19-20H,2-5,8-9,17H2,1H3
InChIKeyFSEISWHBKUVNEQ-UHFFFAOYSA-N
XLogP0.95
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[4-(4-amino-2-ethyl-5-methoxyphenyl)piperidin-1-yl]piperidin-1-yl]ethanol;ethane
CID 164871158
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751
2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione
CID 3771326
3-[1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-2-yl]propan-1-ol
CID 107259161
1-(4-chlorophenoxy)-3-[4-(2-methoxyphenyl)piperidin-1-yl]propan-2-ol
CID 74227411
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846
(2S)-1-(4-methylpiperidin-1-yl)-3-[(3,4,5-trimethoxyphenyl)methoxy]propan-2-ol
CID 40604099
[(2R)-3-[4-[2-fluoro-5-methoxy-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]-2-hydroxypropyl] 2,2,2-trifluoroacetate
CID 66711329
1-[(2R)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537339
1-[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]piperidine-4-carboxamide
CID 2537341
ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol
CID 143502107
N-[3-(4-amino-2-fluoro-5-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830542

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol?
The IUPAC name of 3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol (CID 66711213) is 3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol.
What is the SMILES notation for 3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol?
The canonical SMILES for 3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol is COc1cc(C2CCN(CC(O)CO)CC2)c(F)cc1N.
What is the InChIKey of 3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol?
The InChIKey is FSEISWHBKUVNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O3/c1-21-15-6-12(13(16)7-14(15)17)10-2-4-18(5-3-10)8-11(20)9-19/h6-7,10-11,19-20H,2-5,8-9,17H2,1H3.
What are the key properties of 3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol?
3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol has a molecular weight of 298.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-1-yl]propane-1,2-diol is sourced from PubChem (CID 66711213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).