2-piperazin-1-ylacetic acid;hydrochloride

C6H13ClN2O2 — CID 67009840

IUPAC2-piperazin-1-ylacetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2.ClH/c9-6(10)5-8-3-1-7-2-4-8;/h7H,1-5H2,(H,9,10);1H
InChIKeyPVAOJNMPNQIMFT-UHFFFAOYSA-N
MW180.63 g/mol
LogP-0.60
Rot. Bonds2

About 2-piperazin-1-ylacetic acid;hydrochloride

2-piperazin-1-ylacetic acid;hydrochloride (PubChem CID 67009840) has the molecular formula C6H13ClN2O2 and a molecular weight of 180.63 g/mol. Its IUPAC name is 2-piperazin-1-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylacetic acid;hydrochloride
PubChem CID67009840
Molecular FormulaC6H13ClN2O2
Molecular Weight180.63 g/mol
Exact Mass180.07
IUPAC Name2-piperazin-1-ylacetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2.ClH/c9-6(10)5-8-3-1-7-2-4-8;/h7H,1-5H2,(H,9,10);1H
InChIKeyPVAOJNMPNQIMFT-UHFFFAOYSA-N
XLogP-0.60
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethylenediaminediacetic acid
CID 61975
Piperazin-1-yl-acetic acid
CID 650402
N-(2-Aminoethyl)glycine
CID 428913
Acetic acid,4,7,10-tetraazacyclododecane-1,7-diyl]bis
CID 387352
Ethylenediaminetriacetic acid
CID 167782
2-(2,3-Dioxopiperazin-1-yl)acetic acid
CID 22122176
Glycine, N-(2-aminoethyl)-N-(carboxymethyl)-
CID 10464824
Oxo-piperazin-1-yl-acetic acid
CID 2050152
2-(1-Piperazinyl)acetic acid monohydrate
CID 2760429
(3-Oxo-1-piperazinyl)acetic acid
CID 4715305
Methyl 2-(piperazin-1-yl)acetate hydrochloride
CID 17559628
2-((2-Aminoethyl)(methyl)amino)acetic acid dihydrochloride
CID 71757616

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylacetic acid;hydrochloride?
The IUPAC name of 2-piperazin-1-ylacetic acid;hydrochloride (CID 67009840) is 2-piperazin-1-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-piperazin-1-ylacetic acid;hydrochloride?
The canonical SMILES for 2-piperazin-1-ylacetic acid;hydrochloride is Cl.O=C(O)CN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylacetic acid;hydrochloride?
The InChIKey is PVAOJNMPNQIMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.ClH/c9-6(10)5-8-3-1-7-2-4-8;/h7H,1-5H2,(H,9,10);1H.
What are the key properties of 2-piperazin-1-ylacetic acid;hydrochloride?
2-piperazin-1-ylacetic acid;hydrochloride has a molecular weight of 180.63 g/mol, XLogP of -0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-ylacetic acid;hydrochloride is sourced from PubChem (CID 67009840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).