1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol

C15H23FN2O2 — CID 114677679

IUPAC1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol
SMILESCC(C)Oc1cc(N2CCC(O)C(C)C2)c(N)cc1F
InChIInChI=1S/C15H23FN2O2/c1-9(2)20-15-7-13(12(17)6-11(15)16)18-5-4-14(19)10(3)8-18/h6-7,9-10,14,19H,4-5,8,17H2,1-3H3
InChIKeyANWRZICNDSRDFU-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.40
Rot. Bonds3

About 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol

1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol (PubChem CID 114677679) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol
PubChem CID114677679
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol
SMILESCC(C)Oc1cc(N2CCC(O)C(C)C2)c(N)cc1F
InChIInChI=1S/C15H23FN2O2/c1-9(2)20-15-7-13(12(17)6-11(15)16)18-5-4-14(19)10(3)8-18/h6-7,9-10,14,19H,4-5,8,17H2,1-3H3
InChIKeyANWRZICNDSRDFU-UHFFFAOYSA-N
XLogP2.40
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.40
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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-5-fluoro-4-propan-2-yloxyaniline
CID 115558909
5-fluoro-2-[3-(methoxymethyl)piperidin-1-yl]-4-propan-2-yloxyaniline
CID 106585784
1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol
CID 114677776
5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)-4-propan-2-yloxyaniline
CID 55216866
1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpyrrolidin-3-ol
CID 103355179
5-fluoro-4-methoxy-2-(3-methoxy-4-methylpiperidin-1-yl)aniline
CID 102955599
1-[2-(1-aminoethyl)-4-fluoro-5-methylphenyl]-3-methylpiperidin-4-ol
CID 114678954
4-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)piperazin-2-one
CID 63592727
1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol
CID 103365502
2-(2-ethylazepan-1-yl)-5-fluoro-4-propan-2-yloxyaniline
CID 104688790
(3S,4S)-1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 129380912
1-(2-aminophenyl)-3-methylpiperidin-4-ol
CID 114677647

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol (CID 114677679) is 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol is CC(C)Oc1cc(N2CCC(O)C(C)C2)c(N)cc1F.
What is the InChIKey of 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol?
The InChIKey is ANWRZICNDSRDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O2/c1-9(2)20-15-7-13(12(17)6-11(15)16)18-5-4-14(19)10(3)8-18/h6-7,9-10,14,19H,4-5,8,17H2,1-3H3.
What are the key properties of 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol?
1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol has a molecular weight of 282.36 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).