[4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine

C15H24N4O — CID 115963930

IUPAC[4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
SMILESCOC1CCN(c2ncnc3c2CCCC3)C(CN)C1
InChIInChI=1S/C15H24N4O/c1-20-12-6-7-19(11(8-12)9-16)15-13-4-2-3-5-14(13)17-10-18-15/h10-12H,2-9,16H2,1H3
InChIKeyMPCHXQSHJJPYQM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.30
Rot. Bonds3

About [4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine

[4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine (PubChem CID 115963930) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
PubChem CID115963930
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
SMILESCOC1CCN(c2ncnc3c2CCCC3)C(CN)C1
InChIInChI=1S/C15H24N4O/c1-20-12-6-7-19(11(8-12)9-16)15-13-4-2-3-5-14(13)17-10-18-15/h10-12H,2-9,16H2,1H3
InChIKeyMPCHXQSHJJPYQM-UHFFFAOYSA-N
XLogP1.30
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine with MolForge

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Related Compounds

[4-methyl-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
CID 103442231
(4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 115963850
[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
[1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine
CID 112622897
2-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxyethanamine
CID 82692403
(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine
CID 112622846
[4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622870
2-[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)piperidin-4-yl]oxyethanamine
CID 82688762
4-[2-(bromomethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80667841
[1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine
CID 112622877
[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine
CID 106504519

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine (CID 115963930) is [4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine is COC1CCN(c2ncnc3c2CCCC3)C(CN)C1.
What is the InChIKey of [4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine?
The InChIKey is MPCHXQSHJJPYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-20-12-6-7-19(11(8-12)9-16)15-13-4-2-3-5-14(13)17-10-18-15/h10-12H,2-9,16H2,1H3.
What are the key properties of [4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine?
[4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine has a molecular weight of 276.38 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 115963930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).