2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol

C13H21N3O — CID 115872740

IUPAC2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
SMILESCC(CO)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H21N3O/c1-12(11-17)10-15-6-8-16(9-7-15)13-4-2-3-5-14-13/h2-5,12,17H,6-11H2,1H3
InChIKeyWYVAVEQFGALYAD-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.83
Rot. Bonds4

About 2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol

2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol (PubChem CID 115872740) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
PubChem CID115872740
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
SMILESCC(CO)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C13H21N3O/c1-12(11-17)10-15-6-8-16(9-7-15)13-4-2-3-5-14-13/h2-5,12,17H,6-11H2,1H3
InChIKeyWYVAVEQFGALYAD-UHFFFAOYSA-N
XLogP0.83
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Propiram
CID 26216
1-(2-Pyridyl)piperazine
CID 94459
1-(3-Fluoropyridin-2-yl)-4-methylpiperazine
CID 13298530
4-(2-Pyridyl)piperazine-1-carboxamide
CID 22418783
1-Methyl-4-(pyridin-2-yl)piperazine
CID 14954817
N~1~,N~1~-Dimethyl-N~2~-octyl-N~2~-(pyridin-2-yl)ethane-1,2-diamine
CID 212055
2-((Pyridin-2-yl)amino)ethan-1-ol
CID 420844
Cyclobutyl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 831602
2-Methyl-1-(4-(pyridin-2-yl)piperazin-1-yl)propan-1-one
CID 18340861
N,N-2,2'-Dipyridylacetamide
CID 52053
1-Piperazinepropionic acid, 4-(2-pyridinyl)-
CID 6485183
1-(Pyridin-2-yl)piperidin-4-one
CID 18348391

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol (CID 115872740) is 2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol is CC(CO)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
The InChIKey is WYVAVEQFGALYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-12(11-17)10-15-6-8-16(9-7-15)13-4-2-3-5-14-13/h2-5,12,17H,6-11H2,1H3.
What are the key properties of 2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol?
2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 115872740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).