2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol

C13H21N3O — CID 113305480

IUPAC2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol
SMILESCN1CCN(C)C(CC(O)c2cccnc2)C1
InChIInChI=1S/C13H21N3O/c1-15-6-7-16(2)12(10-15)8-13(17)11-4-3-5-14-9-11/h3-5,9,12-13,17H,6-8,10H2,1-2H3
InChIKeyCQVDWFVSINTTJK-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.75
Rot. Bonds3

About 2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol

2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol (PubChem CID 113305480) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol
PubChem CID113305480
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol
SMILESCN1CCN(C)C(CC(O)c2cccnc2)C1
InChIInChI=1S/C13H21N3O/c1-15-6-7-16(2)12(10-15)8-13(17)11-4-3-5-14-9-11/h3-5,9,12-13,17H,6-8,10H2,1-2H3
InChIKeyCQVDWFVSINTTJK-UHFFFAOYSA-N
XLogP0.75
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol
CID 104738104
1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 113305466
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917
2-cyclohexyl-1-pyridin-3-ylethanol
CID 22768104
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propylpyrazol-3-yl)ethanol
CID 115414903
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414925
3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine
CID 113305502
2-(1,4-dimethylpiperazin-2-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 113305498
(4-methylmorpholin-2-yl)-pyridin-3-ylmethanol
CID 79087770
1-(1,4-dimethylpiperazin-2-yl)-3-(2-methylphenyl)propan-2-ol
CID 115414893
(1R)-2-[(2R)-1-methylpiperidin-2-yl]-1-phenylethanol;hydrochloride
CID 24842687
2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 115414890

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol?
The IUPAC name of 2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol (CID 113305480) is 2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol?
The canonical SMILES for 2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol is CN1CCN(C)C(CC(O)c2cccnc2)C1.
What is the InChIKey of 2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol?
The InChIKey is CQVDWFVSINTTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-15-6-7-16(2)12(10-15)8-13(17)11-4-3-5-14-9-11/h3-5,9,12-13,17H,6-8,10H2,1-2H3.
What are the key properties of 2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol?
2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol has a molecular weight of 235.33 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol is sourced from PubChem (CID 113305480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).