(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol

C12H19N3O — CID 178044915

IUPAC(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESCc1cc(N2CCC[C@@](C)(O)C2)nc(C)n1
InChIInChI=1S/C12H19N3O/c1-9-7-11(14-10(2)13-9)15-6-4-5-12(3,16)8-15/h7,16H,4-6,8H2,1-3H3/t12-/m1/s1
InChIKeyPUYSTBCHJHRTPP-GFCCVEGCSA-N
MW221.30 g/mol
LogP1.44
Rot. Bonds1

About (3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol

(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol (PubChem CID 178044915) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
PubChem CID178044915
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
SMILESCc1cc(N2CCC[C@@](C)(O)C2)nc(C)n1
InChIInChI=1S/C12H19N3O/c1-9-7-11(14-10(2)13-9)15-6-4-5-12(3,16)8-15/h7,16H,4-6,8H2,1-3H3/t12-/m1/s1
InChIKeyPUYSTBCHJHRTPP-GFCCVEGCSA-N
XLogP1.44
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 103868258
1-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-3-methylpiperidin-3-ol
CID 102716221
3-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 103725125
1-[4-[(1S)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876735
1-[4-[(1R)-1-aminoethyl]-2-pyridinyl]-3-methylpiperidin-3-ol
CID 104876717
1-(6-ethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 115871308
2-(3-hydroxy-3-methylpiperidin-1-yl)quinoline-4-carbonitrile
CID 115871328
ethane;(3S)-3-methyl-1-(6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 178044688
1-(5-chloro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 115871312
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylpiperidin-3-ol
CID 115871396
1-[3-[4-(3,3-dimethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azetidin-1-yl]ethanone
CID 95825544
1-(6-ethoxy-2-methylpyrimidin-4-yl)-3-methylpiperidine-3-carboxylic acid
CID 66333107

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol?
The IUPAC name of (3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol (CID 178044915) is (3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol.
What is the SMILES notation for (3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol?
The canonical SMILES for (3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol is Cc1cc(N2CCC[C@@](C)(O)C2)nc(C)n1.
What is the InChIKey of (3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol?
The InChIKey is PUYSTBCHJHRTPP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-7-11(14-10(2)13-9)15-6-4-5-12(3,16)8-15/h7,16H,4-6,8H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol?
(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol is sourced from PubChem (CID 178044915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).