(2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone

C12H17N3O2 — CID 63909804

IUPAC(2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone
SMILESCC1CNCC(C)N1C(=O)c1cncc(O)c1
InChIInChI=1S/C12H17N3O2/c1-8-4-13-5-9(2)15(8)12(17)10-3-11(16)7-14-6-10/h3,6-9,13,16H,4-5H2,1-2H3
InChIKeyPBJIUFORXCMXFV-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.61
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone

(2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone (PubChem CID 63909804) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone
PubChem CID63909804
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone
SMILESCC1CNCC(C)N1C(=O)c1cncc(O)c1
InChIInChI=1S/C12H17N3O2/c1-8-4-13-5-9(2)15(8)12(17)10-3-11(16)7-14-6-10/h3,6-9,13,16H,4-5H2,1-2H3
InChIKeyPBJIUFORXCMXFV-UHFFFAOYSA-N
XLogP0.61
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-3-pyridinyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63910381
(3,5-dichlorophenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63911168
N-(azetidin-3-yl)-N-ethyl-5-hydroxypyridine-3-carboxamide
CID 66181905
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
(3,4-dimethoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909017
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 81203700
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801
(2,6-dimethylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 63911393
N-(2,6-dimethylpiperidin-1-yl)-5-hydroxypyridine-3-carboxamide
CID 83016419
2,3-dihydro-1,4-benzodioxin-6-yl-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909018
(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63911962
(2,6-dimethylpiperazin-1-yl)-(1,2,5-thiadiazol-3-yl)methanone
CID 63908832

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone (CID 63909804) is (2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone is CC1CNCC(C)N1C(=O)c1cncc(O)c1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone?
The InChIKey is PBJIUFORXCMXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-4-13-5-9(2)15(8)12(17)10-3-11(16)7-14-6-10/h3,6-9,13,16H,4-5H2,1-2H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone?
(2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone has a molecular weight of 235.29 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-(5-hydroxy-3-pyridinyl)methanone is sourced from PubChem (CID 63909804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).