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

C15H26N4O — CID 50964992

IUPAC1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol
SMILESCCC(O)C1CCN(c2ncc(C)c(N(C)C)n2)CC1
InChIInChI=1S/C15H26N4O/c1-5-13(20)12-6-8-19(9-7-12)15-16-10-11(2)14(17-15)18(3)4/h10,12-13,20H,5-9H2,1-4H3
InChIKeyAOTMRPUKTFOENC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.84
Rot. Bonds4

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

1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol (PubChem CID 50964992) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol
PubChem CID50964992
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol
SMILESCCC(O)C1CCN(c2ncc(C)c(N(C)C)n2)CC1
InChIInChI=1S/C15H26N4O/c1-5-13(20)12-6-8-19(9-7-12)15-16-10-11(2)14(17-15)18(3)4/h10,12-13,20H,5-9H2,1-4H3
InChIKeyAOTMRPUKTFOENC-UHFFFAOYSA-N
XLogP1.84
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol?
The IUPAC name of 1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol (CID 50964992) is 1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol?
The canonical SMILES for 1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol is CCC(O)C1CCN(c2ncc(C)c(N(C)C)n2)CC1.
What is the InChIKey of 1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol?
The InChIKey is AOTMRPUKTFOENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-13(20)12-6-8-19(9-7-12)15-16-10-11(2)14(17-15)18(3)4/h10,12-13,20H,5-9H2,1-4H3.
What are the key properties of 1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol?
1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol has a molecular weight of 278.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 50964992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).