2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol

C13H21N3O2 — CID 172899246

IUPAC2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol
SMILESCOc1cnc(N2CCC(C(C)(C)O)CC2)nc1
InChIInChI=1S/C13H21N3O2/c1-13(2,17)10-4-6-16(7-5-10)12-14-8-11(18-3)9-15-12/h8-10,17H,4-7H2,1-3H3
InChIKeyUMDSJNXHHCYVCO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds3

About 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol

2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol (PubChem CID 172899246) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol
PubChem CID172899246
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol
SMILESCOc1cnc(N2CCC(C(C)(C)O)CC2)nc1
InChIInChI=1S/C13H21N3O2/c1-13(2,17)10-4-6-16(7-5-10)12-14-8-11(18-3)9-15-12/h8-10,17H,4-7H2,1-3H3
InChIKeyUMDSJNXHHCYVCO-UHFFFAOYSA-N
XLogP1.47
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methoxypyrimidin-2-yl)piperidine-4-carboxamide
CID 154883318
2-(azetidin-1-yl)-5-methoxypyrimidine
CID 163343627
2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]propan-2-ol
CID 172899245
1-(5-methoxypyrimidin-2-yl)azetidin-3-ol
CID 118346552
N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163349449
2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171992978
2-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-5-methoxypyrimidine
CID 171701942
1-(4,4-difluoropiperidin-1-yl)-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone
CID 171993025
N-ethyl-1-(5-methoxypyrimidin-2-yl)pyrrolidine-3-carboxamide
CID 134697949
N-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]-N,1-dimethylpyrazole-3-carboxamide
CID 172900579
2-(4-tert-butylpiperidin-1-yl)pyrimidine-5-carbaldehyde
CID 113387655
1-(5-methoxypyrimidin-2-yl)-N,4-dimethylpiperidin-4-amine
CID 114601002

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol (CID 172899246) is 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol is COc1cnc(N2CCC(C(C)(C)O)CC2)nc1.
What is the InChIKey of 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol?
The InChIKey is UMDSJNXHHCYVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,17)10-4-6-16(7-5-10)12-14-8-11(18-3)9-15-12/h8-10,17H,4-7H2,1-3H3.
What are the key properties of 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol?
2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol has a molecular weight of 251.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 172899246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).