2-(4-methylpiperazin-1-yl)acetic acid

C7H14N2O2 — CID 2762732

IUPAC2-(4-methylpiperazin-1-yl)acetic acid
SMILESCN1CCN(CC(=O)O)CC1
InChIInChI=1S/C7H14N2O2/c1-8-2-4-9(5-3-8)6-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyJCXZKUZXVQKENT-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.68
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)acetic acid

2-(4-methylpiperazin-1-yl)acetic acid (PubChem CID 2762732) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)acetic acid
PubChem CID2762732
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name2-(4-methylpiperazin-1-yl)acetic acid
SMILESCN1CCN(CC(=O)O)CC1
InChIInChI=1S/C7H14N2O2/c1-8-2-4-9(5-3-8)6-7(10)11/h2-6H2,1H3,(H,10,11)
InChIKeyJCXZKUZXVQKENT-UHFFFAOYSA-N
XLogP-0.68
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(4-methylpiperazin-1-yl)acetic acid (CID 2762732) is 2-(4-methylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)acetic acid is CN1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)acetic acid?
The InChIKey is JCXZKUZXVQKENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-8-2-4-9(5-3-8)6-7(10)11/h2-6H2,1H3,(H,10,11).
What are the key properties of 2-(4-methylpiperazin-1-yl)acetic acid?
2-(4-methylpiperazin-1-yl)acetic acid has a molecular weight of 158.20 g/mol, XLogP of -0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 2762732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).