2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol

C15H25N3O — CID 166901175

IUPAC2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol
SMILESCC(C)C1CCN(c2ncc(C(C)(C)O)cn2)CC1
InChIInChI=1S/C15H25N3O/c1-11(2)12-5-7-18(8-6-12)14-16-9-13(10-17-14)15(3,4)19/h9-12,19H,5-8H2,1-4H3
InChIKeyIOAZUPMZMSRZPD-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.58
Rot. Bonds3

About 2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol

2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol (PubChem CID 166901175) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol
PubChem CID166901175
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol
SMILESCC(C)C1CCN(c2ncc(C(C)(C)O)cn2)CC1
InChIInChI=1S/C15H25N3O/c1-11(2)12-5-7-18(8-6-12)14-16-9-13(10-17-14)15(3,4)19/h9-12,19H,5-8H2,1-4H3
InChIKeyIOAZUPMZMSRZPD-UHFFFAOYSA-N
XLogP2.58
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol?
The IUPAC name of 2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol (CID 166901175) is 2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol?
The canonical SMILES for 2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol is CC(C)C1CCN(c2ncc(C(C)(C)O)cn2)CC1.
What is the InChIKey of 2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol?
The InChIKey is IOAZUPMZMSRZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)12-5-7-18(8-6-12)14-16-9-13(10-17-14)15(3,4)19/h9-12,19H,5-8H2,1-4H3.
What are the key properties of 2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol?
2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propan-2-ylpiperidin-1-yl)pyrimidin-5-yl]propan-2-ol is sourced from PubChem (CID 166901175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).