1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol

C16H27N3O — CID 70707412

IUPAC1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol
SMILESCc1ncnc(N2CCC(C(O)CC(C)C)CC2)c1C
InChIInChI=1S/C16H27N3O/c1-11(2)9-15(20)14-5-7-19(8-6-14)16-12(3)13(4)17-10-18-16/h10-11,14-15,20H,5-9H2,1-4H3
InChIKeyGELLGKKYQLPDNK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.72
Rot. Bonds4

About 1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol

1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol (PubChem CID 70707412) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol
PubChem CID70707412
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol
SMILESCc1ncnc(N2CCC(C(O)CC(C)C)CC2)c1C
InChIInChI=1S/C16H27N3O/c1-11(2)9-15(20)14-5-7-19(8-6-14)16-12(3)13(4)17-10-18-16/h10-11,14-15,20H,5-9H2,1-4H3
InChIKeyGELLGKKYQLPDNK-UHFFFAOYSA-N
XLogP2.72
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol?
The IUPAC name of 1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol (CID 70707412) is 1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol.
What is the SMILES notation for 1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol?
The canonical SMILES for 1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol is Cc1ncnc(N2CCC(C(O)CC(C)C)CC2)c1C.
What is the InChIKey of 1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol?
The InChIKey is GELLGKKYQLPDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)9-15(20)14-5-7-19(8-6-14)16-12(3)13(4)17-10-18-16/h10-11,14-15,20H,5-9H2,1-4H3.
What are the key properties of 1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol?
1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol has a molecular weight of 277.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-3-methylbutan-1-ol is sourced from PubChem (CID 70707412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).