4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol

C16H25N3O2 — CID 110114983

IUPAC4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol
SMILESCc1nccc(C2CCCN(CC3(O)CCOCC3)C2)n1
InChIInChI=1S/C16H25N3O2/c1-13-17-7-4-15(18-13)14-3-2-8-19(11-14)12-16(20)5-9-21-10-6-16/h4,7,14,20H,2-3,5-6,8-12H2,1H3
InChIKeyASDXKTGUXIWXOM-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.51
Rot. Bonds3

About 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol

4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol (PubChem CID 110114983) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol
PubChem CID110114983
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol
SMILESCc1nccc(C2CCCN(CC3(O)CCOCC3)C2)n1
InChIInChI=1S/C16H25N3O2/c1-13-17-7-4-15(18-13)14-3-2-8-19(11-14)12-16(20)5-9-21-10-6-16/h4,7,14,20H,2-3,5-6,8-12H2,1H3
InChIKeyASDXKTGUXIWXOM-UHFFFAOYSA-N
XLogP1.51
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 124999428
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 110250261
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-2-methylpyrimidine
CID 110114973
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
CID 95816201
2-methyl-4-[(3R)-1-[(6-methyl-3-pyridinyl)methyl]piperidin-3-yl]pyrimidine
CID 124949798
2-methyl-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidine
CID 110091435
2-[4-[[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]phenyl]benzoic acid
CID 124973403
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
CID 95730626
4,6-dimethyl-2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]pyrimidine
CID 110257012
2-methyl-4-[[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methyl]pyrimidine
CID 110096341
2-(1-hydroxycyclohexyl)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethanone
CID 175655827

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol (CID 110114983) is 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol is Cc1nccc(C2CCCN(CC3(O)CCOCC3)C2)n1.
What is the InChIKey of 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol?
The InChIKey is ASDXKTGUXIWXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-13-17-7-4-15(18-13)14-3-2-8-19(11-14)12-16(20)5-9-21-10-6-16/h4,7,14,20H,2-3,5-6,8-12H2,1H3.
What are the key properties of 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol?
4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol has a molecular weight of 291.39 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 110114983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).