2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol

C12H20N4O — CID 83265901

IUPAC2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol
SMILESCc1cnc(N2CCN(CCO)CC2)cc1N
InChIInChI=1S/C12H20N4O/c1-10-9-14-12(8-11(10)13)16-4-2-15(3-5-16)6-7-17/h8-9,17H,2-7H2,1H3,(H2,13,14)
InChIKeyKFOZPCMSTBOSIG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.09
Rot. Bonds3

About 2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol

2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol (PubChem CID 83265901) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol
PubChem CID83265901
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol
SMILESCc1cnc(N2CCN(CCO)CC2)cc1N
InChIInChI=1S/C12H20N4O/c1-10-9-14-12(8-11(10)13)16-4-2-15(3-5-16)6-7-17/h8-9,17H,2-7H2,1H3,(H2,13,14)
InChIKeyKFOZPCMSTBOSIG-UHFFFAOYSA-N
XLogP0.09
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol (CID 83265901) is 2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol is Cc1cnc(N2CCN(CCO)CC2)cc1N.
What is the InChIKey of 2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol?
The InChIKey is KFOZPCMSTBOSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-10-9-14-12(8-11(10)13)16-4-2-15(3-5-16)6-7-17/h8-9,17H,2-7H2,1H3,(H2,13,14).
What are the key properties of 2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol?
2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol has a molecular weight of 236.32 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-5-methyl-2-pyridinyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 83265901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).