(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

C14H19FN2O2 — CID 103295962

IUPAC(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cc(N)cc(C(=O)N2CCCCC2CO)c1F
InChIInChI=1S/C14H19FN2O2/c1-9-6-10(16)7-12(13(9)15)14(19)17-5-3-2-4-11(17)8-18/h6-7,11,18H,2-5,8,16H2,1H3
InChIKeyKNUOIIKLMWIPLP-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.70
Rot. Bonds2

About (5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone

(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 103295962) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is (5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID103295962
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
SMILESCc1cc(N)cc(C(=O)N2CCCCC2CO)c1F
InChIInChI=1S/C14H19FN2O2/c1-9-6-10(16)7-12(13(9)15)14(19)17-5-3-2-4-11(17)8-18/h6-7,11,18H,2-5,8,16H2,1H3
InChIKeyKNUOIIKLMWIPLP-UHFFFAOYSA-N
XLogP1.70
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94007740
(5-amino-2-methyl-3-pyridinyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 61039382
(5-fluoro-2-methylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636460
(2,4-dimethylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 43421573
(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
CID 103295707
(5-amino-2,4-dimethylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107210096
(2,5-dimethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116635982
[2-(hydroxymethyl)piperidin-1-yl]-(4-methylthiophen-3-yl)methanone
CID 79807562
(5-amino-2-fluoro-3-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103295916
(2-fluoro-5-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55083267
(5-amino-2-fluoro-3-methylphenyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 103296644
(2,5-dimethylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79028912

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone (CID 103295962) is (5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is Cc1cc(N)cc(C(=O)N2CCCCC2CO)c1F.
What is the InChIKey of (5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is KNUOIIKLMWIPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9-6-10(16)7-12(13(9)15)14(19)17-5-3-2-4-11(17)8-18/h6-7,11,18H,2-5,8,16H2,1H3.
What are the key properties of (5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone?
(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 266.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 103295962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).