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

C12H17N3O2 — CID 167812164

IUPAC(3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2ncccc2O)CCN1
InChIInChI=1S/C12H17N3O2/c1-12(2)8-15(7-6-14-12)11(17)10-9(16)4-3-5-13-10/h3-5,14,16H,6-8H2,1-2H3
InChIKeyDXVGEERKRGPSEN-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.61
Rot. Bonds1

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

(3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone (PubChem CID 167812164) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
PubChem CID167812164
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
SMILESCC1(C)CN(C(=O)c2ncccc2O)CCN1
InChIInChI=1S/C12H17N3O2/c1-12(2)8-15(7-6-14-12)11(17)10-9(16)4-3-5-13-10/h3-5,14,16H,6-8H2,1-2H3
InChIKeyDXVGEERKRGPSEN-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

(2,6-dihydroxyphenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 107688424
(2-bromophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015131
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
(4-ethyl-4-methylpiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 55139224
(3-hydroxy-2-pyridinyl)-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 56756209
(3,3-dimethylpiperazin-1-yl)-(4-methylphenyl)methanone
CID 79015249
(3,4-dichlorophenyl)-(3,3-dimethylpiperazin-1-yl)methanone
CID 79015493
(7,7-dimethyl-1,4-thiazepan-4-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 107300789
(3-hydroxy-2-pyridinyl)-thiomorpholin-4-ylmethanone
CID 60923480
3-ethyl-1-(3-hydroxypyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 63134123
(3,3-dimethylpiperazin-1-yl)-(3-iodophenyl)methanone
CID 79505899
(3-hydroxy-2-pyridinyl)-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66203985

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone?
The IUPAC name of (3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone (CID 167812164) is (3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone.
What is the SMILES notation for (3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone?
The canonical SMILES for (3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone is CC1(C)CN(C(=O)c2ncccc2O)CCN1.
What is the InChIKey of (3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone?
The InChIKey is DXVGEERKRGPSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-12(2)8-15(7-6-14-12)11(17)10-9(16)4-3-5-13-10/h3-5,14,16H,6-8H2,1-2H3.
What are the key properties of (3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone?
(3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-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 (3,3-dimethylpiperazin-1-yl)-(3-hydroxy-2-pyridinyl)methanone is sourced from PubChem (CID 167812164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).