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

C13H21N3O — CID 112540510

IUPAC2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol
SMILESCC1CN(C)CCN1C(CO)c1ccccn1
InChIInChI=1S/C13H21N3O/c1-11-9-15(2)7-8-16(11)13(10-17)12-5-3-4-6-14-12/h3-6,11,13,17H,7-10H2,1-2H3
InChIKeyZXJPVTIZTZFUKR-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.75
Rot. Bonds3

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

2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol (PubChem CID 112540510) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol.

Molecular Properties

Compound Name2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol
PubChem CID112540510
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol
SMILESCC1CN(C)CCN1C(CO)c1ccccn1
InChIInChI=1S/C13H21N3O/c1-11-9-15(2)7-8-16(11)13(10-17)12-5-3-4-6-14-12/h3-6,11,13,17H,7-10H2,1-2H3
InChIKeyZXJPVTIZTZFUKR-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-(2,4-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 112539241
2-pyridin-2-yl-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537050
2-morpholin-4-yl-2-pyridin-2-ylethanol
CID 91095032
2-(2,6-dichlorophenyl)-2-(4-ethyl-2-methylpiperazin-1-yl)ethanol
CID 112539285
2-chloro-4-[1-(2,4-dimethylpiperazin-1-yl)-2-hydroxyethyl]-6-ethoxyphenol
CID 112540464
1-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 61461637
2-(2-methylazetidin-1-yl)-2-phenylethanol
CID 104549553
[(2S)-1-[(1R)-1-pyridin-2-ylethyl]pyrrolidin-2-yl]methanol
CID 129448824
2,6-dimethyl-4-(2-piperazin-1-yl-1-pyridin-2-ylethyl)morpholine
CID 82201847
N,N-dimethyl-1-(4-methylpiperazin-2-yl)-1-pyridin-2-ylmethanamine
CID 116911018
3-(2,4-dimethylpiperazin-1-yl)pyridine-2-carbothioamide
CID 114086681
1-[2-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethyl]piperazine
CID 82201838

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol?
The IUPAC name of 2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol (CID 112540510) is 2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol.
What is the SMILES notation for 2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol?
The canonical SMILES for 2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol is CC1CN(C)CCN1C(CO)c1ccccn1.
What is the InChIKey of 2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol?
The InChIKey is ZXJPVTIZTZFUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-9-15(2)7-8-16(11)13(10-17)12-5-3-4-6-14-12/h3-6,11,13,17H,7-10H2,1-2H3.
What are the key properties of 2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol?
2-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-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-(2,4-dimethylpiperazin-1-yl)-2-pyridin-2-ylethanol is sourced from PubChem (CID 112540510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).