(4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone

C12H16FN3O — CID 113435999

IUPAC(4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
SMILESCC1CC(N)CCN1C(=O)c1ccc(F)cn1
InChIInChI=1S/C12H16FN3O/c1-8-6-10(14)4-5-16(8)12(17)11-3-2-9(13)7-15-11/h2-3,7-8,10H,4-6,14H2,1H3
InChIKeyMMTHIRPSKKQOCN-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.17
Rot. Bonds1

About (4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone

(4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone (PubChem CID 113435999) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is (4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name(4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
PubChem CID113435999
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name(4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
SMILESCC1CC(N)CCN1C(=O)c1ccc(F)cn1
InChIInChI=1S/C12H16FN3O/c1-8-6-10(14)4-5-16(8)12(17)11-3-2-9(13)7-15-11/h2-3,7-8,10H,4-6,14H2,1H3
InChIKeyMMTHIRPSKKQOCN-UHFFFAOYSA-N
XLogP1.17
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of (4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone (CID 113435999) is (4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for (4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for (4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone is CC1CC(N)CCN1C(=O)c1ccc(F)cn1.
What is the InChIKey of (4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is MMTHIRPSKKQOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-8-6-10(14)4-5-16(8)12(17)11-3-2-9(13)7-15-11/h2-3,7-8,10H,4-6,14H2,1H3.
What are the key properties of (4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone?
(4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 237.28 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 113435999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).