4-[(1-methylpiperidin-4-yl)methyl]quinazoline

C15H19N3 — CID 20709663

IUPAC4-[(1-methylpiperidin-4-yl)methyl]quinazoline
SMILESCN1CCC(Cc2ncnc3ccccc23)CC1
InChIInChI=1S/C15H19N3/c1-18-8-6-12(7-9-18)10-15-13-4-2-3-5-14(13)16-11-17-15/h2-5,11-12H,6-10H2,1H3
InChIKeyVNXQHHOCOISLGA-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.51
Rot. Bonds2

About 4-[(1-methylpiperidin-4-yl)methyl]quinazoline

4-[(1-methylpiperidin-4-yl)methyl]quinazoline (PubChem CID 20709663) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-4-yl)methyl]quinazoline.

Molecular Properties

Compound Name4-[(1-methylpiperidin-4-yl)methyl]quinazoline
PubChem CID20709663
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name4-[(1-methylpiperidin-4-yl)methyl]quinazoline
SMILESCN1CCC(Cc2ncnc3ccccc23)CC1
InChIInChI=1S/C15H19N3/c1-18-8-6-12(7-9-18)10-15-13-4-2-3-5-14(13)16-11-17-15/h2-5,11-12H,6-10H2,1H3
InChIKeyVNXQHHOCOISLGA-UHFFFAOYSA-N
XLogP2.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-4-yl)methyl]quinazoline?
The IUPAC name of 4-[(1-methylpiperidin-4-yl)methyl]quinazoline (CID 20709663) is 4-[(1-methylpiperidin-4-yl)methyl]quinazoline.
What is the SMILES notation for 4-[(1-methylpiperidin-4-yl)methyl]quinazoline?
The canonical SMILES for 4-[(1-methylpiperidin-4-yl)methyl]quinazoline is CN1CCC(Cc2ncnc3ccccc23)CC1.
What is the InChIKey of 4-[(1-methylpiperidin-4-yl)methyl]quinazoline?
The InChIKey is VNXQHHOCOISLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18-8-6-12(7-9-18)10-15-13-4-2-3-5-14(13)16-11-17-15/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 4-[(1-methylpiperidin-4-yl)methyl]quinazoline?
4-[(1-methylpiperidin-4-yl)methyl]quinazoline has a molecular weight of 241.34 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-4-yl)methyl]quinazoline is sourced from PubChem (CID 20709663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).