[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol

C14H18N4O — CID 80792862

IUPAC[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
SMILESNc1nc(N2CCCC(CO)C2)c2ccccc2n1
InChIInChI=1S/C14H18N4O/c15-14-16-12-6-2-1-5-11(12)13(17-14)18-7-3-4-10(8-18)9-19/h1-2,5-6,10,19H,3-4,7-9H2,(H2,15,16,17)
InChIKeyXAAXGFCKSDKYFY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.42
Rot. Bonds2

About [1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol

[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol (PubChem CID 80792862) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
PubChem CID80792862
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol
SMILESNc1nc(N2CCCC(CO)C2)c2ccccc2n1
InChIInChI=1S/C14H18N4O/c15-14-16-12-6-2-1-5-11(12)13(17-14)18-7-3-4-10(8-18)9-19/h1-2,5-6,10,19H,3-4,7-9H2,(H2,15,16,17)
InChIKeyXAAXGFCKSDKYFY-UHFFFAOYSA-N
XLogP1.42
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol (CID 80792862) is [1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol is Nc1nc(N2CCCC(CO)C2)c2ccccc2n1.
What is the InChIKey of [1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol?
The InChIKey is XAAXGFCKSDKYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c15-14-16-12-6-2-1-5-11(12)13(17-14)18-7-3-4-10(8-18)9-19/h1-2,5-6,10,19H,3-4,7-9H2,(H2,15,16,17).
What are the key properties of [1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol?
[1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol has a molecular weight of 258.32 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoquinazolin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 80792862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).