3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol

C17H30N4O — CID 133315366

IUPAC3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol
SMILESCc1cc(N2CCC(N(C)CCCO)CC2)nc(C(C)C)n1
InChIInChI=1S/C17H30N4O/c1-13(2)17-18-14(3)12-16(19-17)21-9-6-15(7-10-21)20(4)8-5-11-22/h12-13,15,22H,5-11H2,1-4H3
InChIKeyVVBYUAKXAULJIT-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.19
Rot. Bonds6

About 3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol

3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 133315366) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol
PubChem CID133315366
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol
SMILESCc1cc(N2CCC(N(C)CCCO)CC2)nc(C(C)C)n1
InChIInChI=1S/C17H30N4O/c1-13(2)17-18-14(3)12-16(19-17)21-9-6-15(7-10-21)20(4)8-5-11-22/h12-13,15,22H,5-11H2,1-4H3
InChIKeyVVBYUAKXAULJIT-UHFFFAOYSA-N
XLogP2.19
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol (CID 133315366) is 3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol is Cc1cc(N2CCC(N(C)CCCO)CC2)nc(C(C)C)n1.
What is the InChIKey of 3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is VVBYUAKXAULJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-13(2)17-18-14(3)12-16(19-17)21-9-6-15(7-10-21)20(4)8-5-11-22/h12-13,15,22H,5-11H2,1-4H3.
What are the key properties of 3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol?
3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 306.45 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 133315366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).