2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol

C13H21N3O — CID 79045835

IUPAC2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol
SMILESCC(C)(C(O)c1cncnc1)N1CCCCC1
InChIInChI=1S/C13H21N3O/c1-13(2,16-6-4-3-5-7-16)12(17)11-8-14-10-15-9-11/h8-10,12,17H,3-7H2,1-2H3
InChIKeyNIAMIHXWIJOFPG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.77
Rot. Bonds3

About 2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol

2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol (PubChem CID 79045835) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol
PubChem CID79045835
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol
SMILESCC(C)(C(O)c1cncnc1)N1CCCCC1
InChIInChI=1S/C13H21N3O/c1-13(2,16-6-4-3-5-7-16)12(17)11-8-14-10-15-9-11/h8-10,12,17H,3-7H2,1-2H3
InChIKeyNIAMIHXWIJOFPG-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol?
The IUPAC name of 2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol (CID 79045835) is 2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol.
What is the SMILES notation for 2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol?
The canonical SMILES for 2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol is CC(C)(C(O)c1cncnc1)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol?
The InChIKey is NIAMIHXWIJOFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2,16-6-4-3-5-7-16)12(17)11-8-14-10-15-9-11/h8-10,12,17H,3-7H2,1-2H3.
What are the key properties of 2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol?
2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-yl-1-pyrimidin-5-ylpropan-1-ol is sourced from PubChem (CID 79045835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).