1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol

C11H16ClN3O — CID 114679717

IUPAC1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESCc1cnc(Cl)nc1N1CCC(O)C(C)C1
InChIInChI=1S/C11H16ClN3O/c1-7-5-13-11(12)14-10(7)15-4-3-9(16)8(2)6-15/h5,8-9,16H,3-4,6H2,1-2H3
InChIKeyAJHZDBRZTHSOEI-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.65
Rot. Bonds1

About 1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol

1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol (PubChem CID 114679717) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
PubChem CID114679717
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
SMILESCc1cnc(Cl)nc1N1CCC(O)C(C)C1
InChIInChI=1S/C11H16ClN3O/c1-7-5-13-11(12)14-10(7)15-4-3-9(16)8(2)6-15/h5,8-9,16H,3-4,6H2,1-2H3
InChIKeyAJHZDBRZTHSOEI-UHFFFAOYSA-N
XLogP1.65
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-5,6-dimethylpyrazin-2-yl)-3-methylpiperidin-4-ol
CID 114679659
1-(2-chloro-5-methylpyrimidin-4-yl)-N,N,4-trimethylpyrrolidin-3-amine
CID 81474455
2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 79075665
1-(5-chloropyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 105370258
1-(4,6-dichloro-1,3,5-triazin-2-yl)-3-methylpiperidin-4-ol
CID 114679663
2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
CID 79076184
1-[5-chloro-2-(methylamino)pyrimidin-4-yl]-3-methylpiperidin-4-ol
CID 114684020
1-(3-amino-5-methyl-2-pyridinyl)-3-methylpiperidin-4-ol
CID 114677696
1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971036
1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol
CID 114677807
2-chloro-4-[4-[(6-methoxy-3-pyridinyl)oxy]piperidin-1-yl]-5-methylpyrimidine
CID 135154666
2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 114678636

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol (CID 114679717) is 1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol is Cc1cnc(Cl)nc1N1CCC(O)C(C)C1.
What is the InChIKey of 1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
The InChIKey is AJHZDBRZTHSOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-5-13-11(12)14-10(7)15-4-3-9(16)8(2)6-15/h5,8-9,16H,3-4,6H2,1-2H3.
What are the key properties of 1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol?
1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol has a molecular weight of 241.72 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 114679717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).