2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol

C11H18N4O — CID 3060389

IUPAC2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol
SMILESNc1cnccc1N1CCN(CCO)CC1
InChIInChI=1S/C11H18N4O/c12-10-9-13-2-1-11(10)15-5-3-14(4-6-15)7-8-16/h1-2,9,16H,3-8,12H2
InChIKeyLTUKKXJLQGZJDH-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.22
Rot. Bonds3

About 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol

2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol (PubChem CID 3060389) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol
PubChem CID3060389
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol
SMILESNc1cnccc1N1CCN(CCO)CC1
InChIInChI=1S/C11H18N4O/c12-10-9-13-2-1-11(10)15-5-3-14(4-6-15)7-8-16/h1-2,9,16H,3-8,12H2
InChIKeyLTUKKXJLQGZJDH-UHFFFAOYSA-N
XLogP-0.22
TPSA65.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol (CID 3060389) is 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol is Nc1cnccc1N1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol?
The InChIKey is LTUKKXJLQGZJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-10-9-13-2-1-11(10)15-5-3-14(4-6-15)7-8-16/h1-2,9,16H,3-8,12H2.
What are the key properties of 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol?
2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol has a molecular weight of 222.29 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 3060389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).