2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol

C16H24N6O2 — CID 45174205

IUPAC2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol
SMILESCOc1ccnc(N2CCCC(Cn3cc(C(C)(C)O)nn3)C2)n1
InChIInChI=1S/C16H24N6O2/c1-16(2,23)13-11-22(20-19-13)10-12-5-4-8-21(9-12)15-17-7-6-14(18-15)24-3/h6-7,11-12,23H,4-5,8-10H2,1-3H3
InChIKeyBCIVIMAMXMCHNQ-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.22
Rot. Bonds5

About 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol

2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol (PubChem CID 45174205) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol
PubChem CID45174205
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol
SMILESCOc1ccnc(N2CCCC(Cn3cc(C(C)(C)O)nn3)C2)n1
InChIInChI=1S/C16H24N6O2/c1-16(2,23)13-11-22(20-19-13)10-12-5-4-8-21(9-12)15-17-7-6-14(18-15)24-3/h6-7,11-12,23H,4-5,8-10H2,1-3H3
InChIKeyBCIVIMAMXMCHNQ-UHFFFAOYSA-N
XLogP1.22
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol (CID 45174205) is 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol is COc1ccnc(N2CCCC(Cn3cc(C(C)(C)O)nn3)C2)n1.
What is the InChIKey of 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol?
The InChIKey is BCIVIMAMXMCHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-16(2,23)13-11-22(20-19-13)10-12-5-4-8-21(9-12)15-17-7-6-14(18-15)24-3/h6-7,11-12,23H,4-5,8-10H2,1-3H3.
What are the key properties of 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol?
2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol has a molecular weight of 332.41 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 45174205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).