(3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol

C15H19N3O2 — CID 134710020

IUPAC(3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol
SMILESCc1nc(N2CC[C@@H](O)[C@@H](CO)C2)c2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-10-16-13-5-3-2-4-12(13)15(17-10)18-7-6-14(20)11(8-18)9-19/h2-5,11,14,19-20H,6-9H2,1H3/t11-,14-/m1/s1
InChIKeyAJRPNHTUDKDLQE-BXUZGUMPSA-N
MW273.34 g/mol
LogP1.12
Rot. Bonds2

About (3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol

(3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol (PubChem CID 134710020) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol
PubChem CID134710020
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol
SMILESCc1nc(N2CC[C@@H](O)[C@@H](CO)C2)c2ccccc2n1
InChIInChI=1S/C15H19N3O2/c1-10-16-13-5-3-2-4-12(13)15(17-10)18-7-6-14(20)11(8-18)9-19/h2-5,11,14,19-20H,6-9H2,1H3/t11-,14-/m1/s1
InChIKeyAJRPNHTUDKDLQE-BXUZGUMPSA-N
XLogP1.12
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol?
The IUPAC name of (3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol (CID 134710020) is (3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol.
What is the SMILES notation for (3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol?
The canonical SMILES for (3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol is Cc1nc(N2CC[C@@H](O)[C@@H](CO)C2)c2ccccc2n1.
What is the InChIKey of (3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol?
The InChIKey is AJRPNHTUDKDLQE-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-16-13-5-3-2-4-12(13)15(17-10)18-7-6-14(20)11(8-18)9-19/h2-5,11,14,19-20H,6-9H2,1H3/t11-,14-/m1/s1.
What are the key properties of (3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol?
(3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol has a molecular weight of 273.34 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-(hydroxymethyl)-1-(2-methylquinazolin-4-yl)piperidin-4-ol is sourced from PubChem (CID 134710020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).