(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone

C11H15N3O2 — CID 104956560

IUPAC(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
SMILESCC1CN(C(=O)c2cncnc2)CCC1O
InChIInChI=1S/C11H15N3O2/c1-8-6-14(3-2-10(8)15)11(16)9-4-12-7-13-5-9/h4-5,7-8,10,15H,2-3,6H2,1H3
InChIKeyPKKWSBBAKDQLSQ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.32
Rot. Bonds1

About (4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone

(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone (PubChem CID 104956560) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is (4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
PubChem CID104956560
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
SMILESCC1CN(C(=O)c2cncnc2)CCC1O
InChIInChI=1S/C11H15N3O2/c1-8-6-14(3-2-10(8)15)11(16)9-4-12-7-13-5-9/h4-5,7-8,10,15H,2-3,6H2,1H3
InChIKeyPKKWSBBAKDQLSQ-UHFFFAOYSA-N
XLogP0.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341
[3-(aminomethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922233
4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 102921512
[3-(2-aminoethyl)pyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922928
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
4-(4-hydroxy-3-methylpiperidine-1-carbonyl)benzenecarbothioamide
CID 114678581
(2-fluoro-4-pyridinyl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114678232
(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922724
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
(4-hydroxy-3-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-5-yl)methanone
CID 104956593

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone (CID 104956560) is (4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone is CC1CN(C(=O)c2cncnc2)CCC1O.
What is the InChIKey of (4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone?
The InChIKey is PKKWSBBAKDQLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-6-14(3-2-10(8)15)11(16)9-4-12-7-13-5-9/h4-5,7-8,10,15H,2-3,6H2,1H3.
What are the key properties of (4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone?
(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone has a molecular weight of 221.26 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 104956560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).