(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

C15H21FN2O — CID 114591861

IUPAC(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cc(F)ccc2N)C1
InChIInChI=1S/C15H21FN2O/c1-9-6-10(2)11(3)18(8-9)15(19)13-7-12(16)4-5-14(13)17/h4-5,7,9-11H,6,8,17H2,1-3H3
InChIKeyYFBMFHXAAZFRIO-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.91
Rot. Bonds1

About (2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone

(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (PubChem CID 114591861) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is (2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
PubChem CID114591861
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)C(C)N(C(=O)c2cc(F)ccc2N)C1
InChIInChI=1S/C15H21FN2O/c1-9-6-10(2)11(3)18(8-9)15(19)13-7-12(16)4-5-14(13)17/h4-5,7,9-11H,6,8,17H2,1-3H3
InChIKeyYFBMFHXAAZFRIO-UHFFFAOYSA-N
XLogP2.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.91
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

(2-bromo-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593396
(2-amino-4,5-difluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591834
(5-amino-2-methyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114591779
1-(2-amino-5-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61157060
(5-amino-1H-pyrazol-4-yl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114594553
5-fluoro-2-(2,3,5-trimethylpiperidin-1-yl)benzoic acid
CID 114593911
(2-amino-5-fluorophenyl)-(3,4-dimethylpiperazin-1-yl)methanone
CID 55217325
(4-fluoro-3-sulfanylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107036405
(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103274732
(2-hydroxy-3-methylphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114593572
(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107689677
(5-bromo-2-hydrazinyl-3-pyridinyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 114596633

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone (CID 114591861) is (2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is CC1CC(C)C(C)N(C(=O)c2cc(F)ccc2N)C1.
What is the InChIKey of (2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
The InChIKey is YFBMFHXAAZFRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-9-6-10(2)11(3)18(8-9)15(19)13-7-12(16)4-5-14(13)17/h4-5,7,9-11H,6,8,17H2,1-3H3.
What are the key properties of (2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone?
(2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone has a molecular weight of 264.34 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-fluorophenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 114591861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).