3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol

C13H21N3O — CID 131930031

IUPAC3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol
SMILESCCCc1cnc(N2CCCC(C)(O)C2)nc1
InChIInChI=1S/C13H21N3O/c1-3-5-11-8-14-12(15-9-11)16-7-4-6-13(2,17)10-16/h8-9,17H,3-7,10H2,1-2H3
InChIKeyIPTCXXVALWRLQZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.78
Rot. Bonds3

About 3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol

3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol (PubChem CID 131930031) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol
PubChem CID131930031
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol
SMILESCCCc1cnc(N2CCCC(C)(O)C2)nc1
InChIInChI=1S/C13H21N3O/c1-3-5-11-8-14-12(15-9-11)16-7-4-6-13(2,17)10-16/h8-9,17H,3-7,10H2,1-2H3
InChIKeyIPTCXXVALWRLQZ-UHFFFAOYSA-N
XLogP1.78
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol?
The IUPAC name of 3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol (CID 131930031) is 3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol.
What is the SMILES notation for 3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol?
The canonical SMILES for 3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol is CCCc1cnc(N2CCCC(C)(O)C2)nc1.
What is the InChIKey of 3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol?
The InChIKey is IPTCXXVALWRLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-5-11-8-14-12(15-9-11)16-7-4-6-13(2,17)10-16/h8-9,17H,3-7,10H2,1-2H3.
What are the key properties of 3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol?
3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(5-propylpyrimidin-2-yl)piperidin-3-ol is sourced from PubChem (CID 131930031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).