(3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone

C12H16FN3O — CID 79994306

IUPAC(3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESCC1CC(N)CN(C(=O)c2ccncc2F)C1
InChIInChI=1S/C12H16FN3O/c1-8-4-9(14)7-16(6-8)12(17)10-2-3-15-5-11(10)13/h2-3,5,8-9H,4,6-7,14H2,1H3
InChIKeyZRHDLYPDLXHEFJ-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.03
Rot. Bonds1

About (3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone

(3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone (PubChem CID 79994306) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is (3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
PubChem CID79994306
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name(3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone
SMILESCC1CC(N)CN(C(=O)c2ccncc2F)C1
InChIInChI=1S/C12H16FN3O/c1-8-4-9(14)7-16(6-8)12(17)10-2-3-15-5-11(10)13/h2-3,5,8-9H,4,6-7,14H2,1H3
InChIKeyZRHDLYPDLXHEFJ-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone?
The IUPAC name of (3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone (CID 79994306) is (3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone.
What is the SMILES notation for (3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone?
The canonical SMILES for (3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone is CC1CC(N)CN(C(=O)c2ccncc2F)C1.
What is the InChIKey of (3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone?
The InChIKey is ZRHDLYPDLXHEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-8-4-9(14)7-16(6-8)12(17)10-2-3-15-5-11(10)13/h2-3,5,8-9H,4,6-7,14H2,1H3.
What are the key properties of (3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone?
(3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone has a molecular weight of 237.28 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-methylpiperidin-1-yl)-(3-fluoro-4-pyridinyl)methanone is sourced from PubChem (CID 79994306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).