2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline

C15H20ClN3O — CID 10063015

IUPAC2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline
SMILESCC1=c2ccccc2=NC(CCl)(N2CCCCC2)N1O
InChIInChI=1S/C15H20ClN3O/c1-12-13-7-3-4-8-14(13)17-15(11-16,19(12)20)18-9-5-2-6-10-18/h3-4,7-8,20H,2,5-6,9-11H2,1H3
InChIKeyYUJCBBBKUYTCOQ-UHFFFAOYSA-N
MW293.80 g/mol
LogP1.52
Rot. Bonds2

About 2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline

2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline (PubChem CID 10063015) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline.

Molecular Properties

Compound Name2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline
PubChem CID10063015
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline
SMILESCC1=c2ccccc2=NC(CCl)(N2CCCCC2)N1O
InChIInChI=1S/C15H20ClN3O/c1-12-13-7-3-4-8-14(13)17-15(11-16,19(12)20)18-9-5-2-6-10-18/h3-4,7-8,20H,2,5-6,9-11H2,1H3
InChIKeyYUJCBBBKUYTCOQ-UHFFFAOYSA-N
XLogP1.52
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline?
The IUPAC name of 2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline (CID 10063015) is 2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline.
What is the SMILES notation for 2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline?
The canonical SMILES for 2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline is CC1=c2ccccc2=NC(CCl)(N2CCCCC2)N1O.
What is the InChIKey of 2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline?
The InChIKey is YUJCBBBKUYTCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-12-13-7-3-4-8-14(13)17-15(11-16,19(12)20)18-9-5-2-6-10-18/h3-4,7-8,20H,2,5-6,9-11H2,1H3.
What are the key properties of 2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline?
2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline has a molecular weight of 293.80 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-hydroxy-4-methyl-2-piperidin-1-ylquinazoline is sourced from PubChem (CID 10063015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).