[4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine

C11H18N4O — CID 121204980

IUPAC[4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine
SMILESCOC1CCN(c2ccnc(CN)n2)CC1
InChIInChI=1S/C11H18N4O/c1-16-9-3-6-15(7-4-9)11-2-5-13-10(8-12)14-11/h2,5,9H,3-4,6-8,12H2,1H3
InChIKeyFFQJTMOFVREXPF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.55
Rot. Bonds3

About [4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine

[4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine (PubChem CID 121204980) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine
PubChem CID121204980
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine
SMILESCOC1CCN(c2ccnc(CN)n2)CC1
InChIInChI=1S/C11H18N4O/c1-16-9-3-6-15(7-4-9)11-2-5-13-10(8-12)14-11/h2,5,9H,3-4,6-8,12H2,1H3
InChIKeyFFQJTMOFVREXPF-UHFFFAOYSA-N
XLogP0.55
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine?
The IUPAC name of [4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine (CID 121204980) is [4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine is COC1CCN(c2ccnc(CN)n2)CC1.
What is the InChIKey of [4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine?
The InChIKey is FFQJTMOFVREXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-16-9-3-6-15(7-4-9)11-2-5-13-10(8-12)14-11/h2,5,9H,3-4,6-8,12H2,1H3.
What are the key properties of [4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine?
[4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine has a molecular weight of 222.29 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxypiperidin-1-yl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 121204980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).