2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol

C16H23N5O — CID 71891326

IUPAC2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESCc1cc(N2CCCC(c3ccnn3CCO)C2)nc(C)n1
InChIInChI=1S/C16H23N5O/c1-12-10-16(19-13(2)18-12)20-7-3-4-14(11-20)15-5-6-17-21(15)8-9-22/h5-6,10,14,22H,3-4,7-9,11H2,1-2H3
InChIKeyZSMGPUHXNCGOLW-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.67
Rot. Bonds4

About 2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol

2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 71891326) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol
PubChem CID71891326
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol
SMILESCc1cc(N2CCCC(c3ccnn3CCO)C2)nc(C)n1
InChIInChI=1S/C16H23N5O/c1-12-10-16(19-13(2)18-12)20-7-3-4-14(11-20)15-5-6-17-21(15)8-9-22/h5-6,10,14,22H,3-4,7-9,11H2,1-2H3
InChIKeyZSMGPUHXNCGOLW-UHFFFAOYSA-N
XLogP1.67
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-6-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
CID 119103538
2-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-4-methyl-1,3-thiazole
CID 133328206
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62547071
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846335
4-[3-(2-chloroethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 55185138
4-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
CID 125007611
4-[3-[5-[(4-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2,6-dimethylpyrimidine
CID 110093323
4-ethyl-2-methyl-6-[(3S)-3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 97210192
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]-N-methylethanamine
CID 63852838
[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol
CID 138988774
4-[3-(bromomethyl)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 80679967
[4-[2-(2-hydroxyethyl)pyrazol-3-yl]piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 136520567

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol (CID 71891326) is 2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol is Cc1cc(N2CCCC(c3ccnn3CCO)C2)nc(C)n1.
What is the InChIKey of 2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is ZSMGPUHXNCGOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12-10-16(19-13(2)18-12)20-7-3-4-14(11-20)15-5-6-17-21(15)8-9-22/h5-6,10,14,22H,3-4,7-9,11H2,1-2H3.
What are the key properties of 2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol?
2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 301.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 71891326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).