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

C15H22N6O2 — CID 29215484

IUPAC3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol
SMILESCOc1ccnc(N2CCC(n3cc(CCCO)nn3)CC2)n1
InChIInChI=1S/C15H22N6O2/c1-23-14-4-7-16-15(17-14)20-8-5-13(6-9-20)21-11-12(18-19-21)3-2-10-22/h4,7,11,13,22H,2-3,5-6,8-10H2,1H3
InChIKeyZPMXPDYLGYUXCF-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.84
Rot. Bonds6

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

3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol (PubChem CID 29215484) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol
PubChem CID29215484
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol
SMILESCOc1ccnc(N2CCC(n3cc(CCCO)nn3)CC2)n1
InChIInChI=1S/C15H22N6O2/c1-23-14-4-7-16-15(17-14)20-8-5-13(6-9-20)21-11-12(18-19-21)3-2-10-22/h4,7,11,13,22H,2-3,5-6,8-10H2,1H3
InChIKeyZPMXPDYLGYUXCF-UHFFFAOYSA-N
XLogP0.84
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[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
trans-1-(5-Fluoro-4-methoxy-2-pyrimidinyl)-4-(2-pyrazinylmethyl)-3-pyrrolidinol
CID 135092515
1-[1-[[1-(4-Methoxypyrimidin-2-yl)piperidin-4-yl]methyl]triazol-4-yl]propan-2-ol;2,2,2-trifluoroacetic acid
CID 154886532
4-(2-Methoxyethoxy)-2-(2-pyrazin-2-ylpyrrolidin-1-yl)pyrimidine
CID 174514379
2-(1-{[1-(4-methoxy-2-pyrimidinyl)-4-piperidinyl]methyl}-1H-1,2,3-triazol-4-yl)-2-propanol
CID 29026321
(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
(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
4-methoxy-2-{4-[4-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}pyrimidine
CID 30877050
1-{1-[1-(6-methoxy-4-pyrimidinyl)-4-piperidinyl]-1H-1,2,3-triazol-4-yl}ethanol
CID 45172289

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol (CID 29215484) is 3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol is COc1ccnc(N2CCC(n3cc(CCCO)nn3)CC2)n1.
What is the InChIKey of 3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol?
The InChIKey is ZPMXPDYLGYUXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-23-14-4-7-16-15(17-14)20-8-5-13(6-9-20)21-11-12(18-19-21)3-2-10-22/h4,7,11,13,22H,2-3,5-6,8-10H2,1H3.
What are the key properties of 3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol?
3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol has a molecular weight of 318.38 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]propan-1-ol is sourced from PubChem (CID 29215484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).