1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol

C12H17N3O — CID 126850200

IUPAC1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C12H17N3O/c16-10-3-5-15(6-4-10)12-7-11(9-1-2-9)13-8-14-12/h7-10,16H,1-6H2
InChIKeyXKBVVFGKWAEKIV-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.32
Rot. Bonds2

About 1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol

1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol (PubChem CID 126850200) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
PubChem CID126850200
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
SMILESOC1CCN(c2cc(C3CC3)ncn2)CC1
InChIInChI=1S/C12H17N3O/c16-10-3-5-15(6-4-10)12-7-11(9-1-2-9)13-8-14-12/h7-10,16H,1-6H2
InChIKeyXKBVVFGKWAEKIV-UHFFFAOYSA-N
XLogP1.32
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol (CID 126850200) is 1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol is OC1CCN(c2cc(C3CC3)ncn2)CC1.
What is the InChIKey of 1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol?
The InChIKey is XKBVVFGKWAEKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-10-3-5-15(6-4-10)12-7-11(9-1-2-9)13-8-14-12/h7-10,16H,1-6H2.
What are the key properties of 1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol?
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol has a molecular weight of 219.29 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 126850200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).