1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol

C16H23N7O2 — CID 154756604

IUPAC1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol
SMILESOC1(Cn2ccnn2)CCCN(c2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C16H23N7O2/c24-16(13-23-7-5-18-20-23)3-1-6-22(12-16)14-2-4-17-15(19-14)21-8-10-25-11-9-21/h2,4-5,7,24H,1,3,6,8-13H2
InChIKeyVDWVTIKPHIUDGB-UHFFFAOYSA-N
MW345.41 g/mol
LogP-0.06
Rot. Bonds4

About 1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol

1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol (PubChem CID 154756604) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol
PubChem CID154756604
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol
SMILESOC1(Cn2ccnn2)CCCN(c2ccnc(N3CCOCC3)n2)C1
InChIInChI=1S/C16H23N7O2/c24-16(13-23-7-5-18-20-23)3-1-6-22(12-16)14-2-4-17-15(19-14)21-8-10-25-11-9-21/h2,4-5,7,24H,1,3,6,8-13H2
InChIKeyVDWVTIKPHIUDGB-UHFFFAOYSA-N
XLogP-0.06
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-ethyl-1-(2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
CID 136530757
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
2-pyrrolidin-1-yl-4-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]pyrimidine
CID 166601016
1-[[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methyl]cyclobutan-1-ol
CID 163350972
1-(triazol-1-ylmethyl)cyclopropan-1-ol
CID 84648394
1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-(triazol-1-ylmethyl)piperidin-4-ol
CID 166259050
5-chloro-2-[3-hydroxy-3-(triazol-1-ylmethyl)piperidin-1-yl]benzonitrile
CID 154736395
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
1-morpholin-4-yl-2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 154829686
4-[4-(4-benzylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886571
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
1-(2-chloropyrimidin-4-yl)-3-(pyrazol-1-ylmethyl)pyrrolidin-3-ol
CID 22308367

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol (CID 154756604) is 1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol is OC1(Cn2ccnn2)CCCN(c2ccnc(N3CCOCC3)n2)C1.
What is the InChIKey of 1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol?
The InChIKey is VDWVTIKPHIUDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c24-16(13-23-7-5-18-20-23)3-1-6-22(12-16)14-2-4-17-15(19-14)21-8-10-25-11-9-21/h2,4-5,7,24H,1,3,6,8-13H2.
What are the key properties of 1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol?
1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol has a molecular weight of 345.41 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylpyrimidin-4-yl)-3-(triazol-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 154756604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).