(4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine

C15H20N4O — CID 115963850

IUPAC(4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine
SMILESCOC1CCN(c2ncnc3ccccc23)C(CN)C1
InChIInChI=1S/C15H20N4O/c1-20-12-6-7-19(11(8-12)9-16)15-13-4-2-3-5-14(13)17-10-18-15/h2-5,10-12H,6-9,16H2,1H3
InChIKeyXVGDLIAQVADLKF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.57
Rot. Bonds3

About (4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine

(4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine (PubChem CID 115963850) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine
PubChem CID115963850
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine
SMILESCOC1CCN(c2ncnc3ccccc23)C(CN)C1
InChIInChI=1S/C15H20N4O/c1-20-12-6-7-19(11(8-12)9-16)15-13-4-2-3-5-14(13)17-10-18-15/h2-5,10-12H,6-9,16H2,1H3
InChIKeyXVGDLIAQVADLKF-UHFFFAOYSA-N
XLogP1.57
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine
CID 112622846
[4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
CID 115963930
[1-(5-chloropyrimidin-4-yl)-4-methoxypiperidin-2-yl]methanamine
CID 105370102
[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622803
2-methyl-1-quinazolin-4-ylpiperidin-4-amine
CID 66801029
[4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622870
[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine
CID 106504519
[1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine
CID 112622897
3-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2H-isoquinolin-1-one
CID 115963904
N-methyl-1-(1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 62586937
[1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine
CID 112622877
6-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pyridine-2-carboxamide
CID 112622854

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine?
The IUPAC name of (4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine (CID 115963850) is (4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine.
What is the SMILES notation for (4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine?
The canonical SMILES for (4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine is COC1CCN(c2ncnc3ccccc23)C(CN)C1.
What is the InChIKey of (4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine?
The InChIKey is XVGDLIAQVADLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-20-12-6-7-19(11(8-12)9-16)15-13-4-2-3-5-14(13)17-10-18-15/h2-5,10-12H,6-9,16H2,1H3.
What are the key properties of (4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine?
(4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine has a molecular weight of 272.35 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine is sourced from PubChem (CID 115963850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).