4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol

C14H23N3O — CID 80702341

IUPAC4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
SMILESCc1cc(N2CCC(C)(O)CC2)nc(C(C)C)n1
InChIInChI=1S/C14H23N3O/c1-10(2)13-15-11(3)9-12(16-13)17-7-5-14(4,18)6-8-17/h9-10,18H,5-8H2,1-4H3
InChIKeyIZLKFMSAXCWYPL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.26
Rot. Bonds2

About 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol

4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol (PubChem CID 80702341) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
PubChem CID80702341
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol
SMILESCc1cc(N2CCC(C)(O)CC2)nc(C(C)C)n1
InChIInChI=1S/C14H23N3O/c1-10(2)13-15-11(3)9-12(16-13)17-7-5-14(4,18)6-8-17/h9-10,18H,5-8H2,1-4H3
InChIKeyIZLKFMSAXCWYPL-UHFFFAOYSA-N
XLogP2.26
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidin-4-ol
CID 81107552
4-methyl-1-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81107966
(2,2-dichloro-1-methylcyclopropyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 17404159
1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 103868258
(2-methyloxolan-2-yl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46954682
[(2S)-2-methyloxolan-2-yl]-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 92553488
(1-aminocyclohexyl)-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 119837069
1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147210
4-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-6-methyl-2-propan-2-ylpyrimidine
CID 154838772
4-(3-bromopyrrolidin-1-yl)-6-methyl-2-propan-2-ylpyrimidine
CID 80667644
1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 51077127
3-hydroxy-3-methyl-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 154839417

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol?
The IUPAC name of 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol (CID 80702341) is 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol?
The canonical SMILES for 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol is Cc1cc(N2CCC(C)(O)CC2)nc(C(C)C)n1.
What is the InChIKey of 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol?
The InChIKey is IZLKFMSAXCWYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)13-15-11(3)9-12(16-13)17-7-5-14(4,18)6-8-17/h9-10,18H,5-8H2,1-4H3.
What are the key properties of 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol?
4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol has a molecular weight of 249.36 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-ol is sourced from PubChem (CID 80702341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).