[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol

C12H18ClN3O — CID 55230644

IUPAC[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCc1nc(Cl)c(C)c(N2CCCC(CO)C2)n1
InChIInChI=1S/C12H18ClN3O/c1-8-11(13)14-9(2)15-12(8)16-5-3-4-10(6-16)7-17/h10,17H,3-7H2,1-2H3
InChIKeySKDUPMOWGYODKA-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.96
Rot. Bonds2

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

[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 55230644) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is [1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID55230644
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCc1nc(Cl)c(C)c(N2CCCC(CO)C2)n1
InChIInChI=1S/C12H18ClN3O/c1-8-11(13)14-9(2)15-12(8)16-5-3-4-10(6-16)7-17/h10,17H,3-7H2,1-2H3
InChIKeySKDUPMOWGYODKA-UHFFFAOYSA-N
XLogP1.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3,6-dichloro-1,2,4-triazin-5-yl)piperidin-3-yl]methanol
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[1-(3,5,6-trichloro-2-pyridinyl)piperidin-3-yl]methanol
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2-(6-chloro-2,5-dimethylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 63729947
[1-(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
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methyl 4-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
CID 26472142
1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-4-ol
CID 63735099
[1-[6-(ethylamino)-2,5-dimethylpyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 112629574
[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 9311243
4-chloro-6-(3-methoxyazetidin-1-yl)-2,5-dimethylpyrimidine
CID 130548007
[(3S)-1-(4-chloro-6-methylpyrimidin-2-yl)piperidin-3-yl]methanol
CID 86329185
[1-(3-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 62253909
[1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
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Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol (CID 55230644) is [1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol is Cc1nc(Cl)c(C)c(N2CCCC(CO)C2)n1.
What is the InChIKey of [1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is SKDUPMOWGYODKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-11(13)14-9(2)15-12(8)16-5-3-4-10(6-16)7-17/h10,17H,3-7H2,1-2H3.
What are the key properties of [1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol?
[1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 255.75 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-2,5-dimethylpyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 55230644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).