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

C16H24N6O2 — CID 29026321

IUPAC2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
SMILESCOc1ccnc(N2CCC(Cn3cc(C(C)(C)O)nn3)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-16(2,23)13-11-22(20-19-13)10-12-5-8-21(9-6-12)15-17-7-4-14(18-15)24-3/h4,7,11-12,23H,5-6,8-10H2,1-3H3
InChIKeyFVVLZSOVMJAODN-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.22
Rot. Bonds5

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

2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol (PubChem CID 29026321) 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-4-yl]methyl]triazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
PubChem CID29026321
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
SMILESCOc1ccnc(N2CCC(Cn3cc(C(C)(C)O)nn3)CC2)n1
InChIInChI=1S/C16H24N6O2/c1-16(2,23)13-11-22(20-19-13)10-12-5-8-21(9-6-12)15-17-7-4-14(18-15)24-3/h4,7,11-12,23H,5-6,8-10H2,1-3H3
InChIKeyFVVLZSOVMJAODN-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

Analyze 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol with MolForge

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Related Compounds

1-(4-Methoxypyrimidin-2-yl)-3-(3-methyltriazol-4-yl)azetidin-3-ol
CID 138008300
[1-[(3S)-1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidin-3-yl]triazol-4-yl]methanol
CID 164638817
(1-{[1-(6-methoxy-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methanol
CID 28854477
1-[1-[[1-(4-Methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol;2,2,2-trifluoroacetic acid
CID 154886532
[1-[[1-(6-Methoxypyrimidin-4-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154890153
1,1,1-Trifluoro-2-[1-(4-methoxypyrimidin-2-yl)triazol-4-yl]propan-2-ol
CID 167761632
[(1-{[1-(6-methoxy-4-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)methyl]methylamine bis(trifluoroacetate)
CID 29086918
(2R)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
CID 29214694
(2S)-1-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol
CID 29214697
3-{1-[1-(4-methoxy-2-pyrimidinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}-1-propanol
CID 29215484
(1R)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
CID 30868634
(1S)-1-[1-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]triazol-4-yl]ethanol
CID 30868637

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol (CID 29026321) is 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol is COc1ccnc(N2CCC(Cn3cc(C(C)(C)O)nn3)CC2)n1.
What is the InChIKey of 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
The InChIKey is FVVLZSOVMJAODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-16(2,23)13-11-22(20-19-13)10-12-5-8-21(9-6-12)15-17-7-4-14(18-15)24-3/h4,7,11-12,23H,5-6,8-10H2,1-3H3.
What are the key properties of 2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol?
2-[1-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-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-4-yl]methyl]triazol-4-yl]propan-2-ol is sourced from PubChem (CID 29026321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).