(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone

C13H17FN2O — CID 103295707

IUPAC(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1cc(N)cc(C(=O)N2CCCCC2)c1F
InChIInChI=1S/C13H17FN2O/c1-9-7-10(15)8-11(12(9)14)13(17)16-5-3-2-4-6-16/h7-8H,2-6,15H2,1H3
InChIKeyMLOGTOKVLGAJBJ-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.34
Rot. Bonds1

About (5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone

(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone (PubChem CID 103295707) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is (5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
PubChem CID103295707
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone
SMILESCc1cc(N)cc(C(=O)N2CCCCC2)c1F
InChIInChI=1S/C13H17FN2O/c1-9-7-10(15)8-11(12(9)14)13(17)16-5-3-2-4-6-16/h7-8H,2-6,15H2,1H3
InChIKeyMLOGTOKVLGAJBJ-UHFFFAOYSA-N
XLogP2.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-2-fluoro-3-methylphenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 103296424
4-(5-amino-2-fluoro-3-methylbenzoyl)piperazine-1-sulfonamide
CID 103296196
(5-amino-2-fluoro-3-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103295916
N-[1-(5-amino-2-fluoro-3-methylbenzoyl)piperidin-4-yl]acetamide
CID 103296776
(5-amino-2-fluoro-3-methylphenyl)-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 103296901
(5-amino-4-fluoro-2-methylphenyl)-(azepan-1-yl)methanone
CID 114271606
(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103295962
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
CID 130546505
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
methyl 1-(5-amino-2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylate
CID 103295910
(5-amino-2-fluoro-3-methylphenyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 103296942

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone (CID 103295707) is (5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone is Cc1cc(N)cc(C(=O)N2CCCCC2)c1F.
What is the InChIKey of (5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone?
The InChIKey is MLOGTOKVLGAJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9-7-10(15)8-11(12(9)14)13(17)16-5-3-2-4-6-16/h7-8H,2-6,15H2,1H3.
What are the key properties of (5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone?
(5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone has a molecular weight of 236.29 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-fluoro-3-methylphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 103295707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).