1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol

C15H19N3O — CID 133397903

IUPAC1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
SMILESCC(O)C1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C15H19N3O/c1-11(19)12-5-4-8-18(9-12)15-13-6-2-3-7-14(13)16-10-17-15/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3
InChIKeyAVBADVAYVHQZTH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.23
Rot. Bonds2

About 1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol

1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol (PubChem CID 133397903) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
PubChem CID133397903
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol
SMILESCC(O)C1CCCN(c2ncnc3ccccc23)C1
InChIInChI=1S/C15H19N3O/c1-11(19)12-5-4-8-18(9-12)15-13-6-2-3-7-14(13)16-10-17-15/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3
InChIKeyAVBADVAYVHQZTH-UHFFFAOYSA-N
XLogP2.23
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol?
The IUPAC name of 1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol (CID 133397903) is 1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol.
What is the SMILES notation for 1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol?
The canonical SMILES for 1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol is CC(O)C1CCCN(c2ncnc3ccccc23)C1.
What is the InChIKey of 1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol?
The InChIKey is AVBADVAYVHQZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11(19)12-5-4-8-18(9-12)15-13-6-2-3-7-14(13)16-10-17-15/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3.
What are the key properties of 1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol?
1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol has a molecular weight of 257.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-quinazolin-4-ylpiperidin-3-yl)ethanol is sourced from PubChem (CID 133397903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).