1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol

C13H22N4O — CID 113305466

IUPAC1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCN1CCN(C)C(CC(O)c2cnccc2N)C1
InChIInChI=1S/C13H22N4O/c1-16-5-6-17(2)10(9-16)7-13(18)11-8-15-4-3-12(11)14/h3-4,8,10,13,18H,5-7,9H2,1-2H3,(H2,14,15)
InChIKeyYTFWGZMLBBVMEG-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.33
Rot. Bonds3

About 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol

1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol (PubChem CID 113305466) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol.

Molecular Properties

Compound Name1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
PubChem CID113305466
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
SMILESCN1CCN(C)C(CC(O)c2cnccc2N)C1
InChIInChI=1S/C13H22N4O/c1-16-5-6-17(2)10(9-16)7-13(18)11-8-15-4-3-12(11)14/h3-4,8,10,13,18H,5-7,9H2,1-2H3,(H2,14,15)
InChIKeyYTFWGZMLBBVMEG-UHFFFAOYSA-N
XLogP0.33
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-4-amine
CID 113305502
2-(1,4-dimethylpiperazin-2-yl)-1-(3-fluoro-4-pyridinyl)ethanol
CID 104738104
2-(1,4-dimethylpiperazin-2-yl)-1-pyridin-3-ylethanol
CID 113305480
1-(2-amino-5-methyl-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol
CID 115414904
1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanone
CID 113305458
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propylpyrazol-3-yl)ethanol
CID 115414903
2-(1,4-dimethylpiperazin-2-yl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 115414890
1-(4-amino-3-pyridinyl)-4-methoxybutan-1-ol
CID 65092313
2-(1,4-dimethylpiperazin-2-yl)-1-thiophen-3-ylethanol
CID 115414917
2-(1,4-dimethylpiperazin-2-yl)-N-methyl-1-pyrazin-2-ylethanamine
CID 115415291
1-(4-amino-3-pyridinyl)-4-methylsulfanylbutan-1-ol
CID 103090078
1-(1,4-dimethylpiperazin-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-ol
CID 115414847

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol?
The IUPAC name of 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol (CID 113305466) is 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol.
What is the SMILES notation for 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol?
The canonical SMILES for 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol is CN1CCN(C)C(CC(O)c2cnccc2N)C1.
What is the InChIKey of 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol?
The InChIKey is YTFWGZMLBBVMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-5-6-17(2)10(9-16)7-13(18)11-8-15-4-3-12(11)14/h3-4,8,10,13,18H,5-7,9H2,1-2H3,(H2,14,15).
What are the key properties of 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol?
1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol has a molecular weight of 250.35 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-pyridinyl)-2-(1,4-dimethylpiperazin-2-yl)ethanol is sourced from PubChem (CID 113305466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).