2-(2-amino-2-methylpiperazin-1-yl)ethanol

C7H17N3O — CID 70286723

IUPAC2-(2-amino-2-methylpiperazin-1-yl)ethanol
SMILESCC1(N)CNCCN1CCO
InChIInChI=1S/C7H17N3O/c1-7(8)6-9-2-3-10(7)4-5-11/h9,11H,2-6,8H2,1H3
InChIKeyKXFFJMFSLFJPSL-UHFFFAOYSA-N
MW159.23 g/mol
LogP-1.44
Rot. Bonds2

About 2-(2-amino-2-methylpiperazin-1-yl)ethanol

2-(2-amino-2-methylpiperazin-1-yl)ethanol (PubChem CID 70286723) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(2-amino-2-methylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(2-amino-2-methylpiperazin-1-yl)ethanol
PubChem CID70286723
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name2-(2-amino-2-methylpiperazin-1-yl)ethanol
SMILESCC1(N)CNCCN1CCO
InChIInChI=1S/C7H17N3O/c1-7(8)6-9-2-3-10(7)4-5-11/h9,11H,2-6,8H2,1H3
InChIKeyKXFFJMFSLFJPSL-UHFFFAOYSA-N
XLogP-1.44
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(2-amino-2-methylpiperazin-1-yl)ethanol (CID 70286723) is 2-(2-amino-2-methylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(2-amino-2-methylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(2-amino-2-methylpiperazin-1-yl)ethanol is CC1(N)CNCCN1CCO.
What is the InChIKey of 2-(2-amino-2-methylpiperazin-1-yl)ethanol?
The InChIKey is KXFFJMFSLFJPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-7(8)6-9-2-3-10(7)4-5-11/h9,11H,2-6,8H2,1H3.
What are the key properties of 2-(2-amino-2-methylpiperazin-1-yl)ethanol?
2-(2-amino-2-methylpiperazin-1-yl)ethanol has a molecular weight of 159.23 g/mol, XLogP of -1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpiperazin-1-yl)ethanol is sourced from PubChem (CID 70286723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).