2-piperazin-1-ylacetic acid;dihydrochloride

C6H14Cl2N2O2 — CID 53433190

IUPAC2-piperazin-1-ylacetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2.2ClH/c9-6(10)5-8-3-1-7-2-4-8;;/h7H,1-5H2,(H,9,10);2*1H
InChIKeyVRHFOVPTDPQEMN-UHFFFAOYSA-N
MW217.10 g/mol
LogP-0.18
Rot. Bonds2

About 2-piperazin-1-ylacetic acid;dihydrochloride

2-piperazin-1-ylacetic acid;dihydrochloride (PubChem CID 53433190) has the molecular formula C6H14Cl2N2O2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 2-piperazin-1-ylacetic acid;dihydrochloride.

Molecular Properties

Compound Name2-piperazin-1-ylacetic acid;dihydrochloride
PubChem CID53433190
Molecular FormulaC6H14Cl2N2O2
Molecular Weight217.10 g/mol
Exact Mass216.04
IUPAC Name2-piperazin-1-ylacetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)CN1CCNCC1
InChIInChI=1S/C6H12N2O2.2ClH/c9-6(10)5-8-3-1-7-2-4-8;;/h7H,1-5H2,(H,9,10);2*1H
InChIKeyVRHFOVPTDPQEMN-UHFFFAOYSA-N
XLogP-0.18
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;dihydrochloride
CID 154804834
ethane;2-piperazin-1-ylacetic acid
CID 143723779
trisodium;2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;hydride
CID 174236195
2-[7-(carboxymethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 143227014
2-[4,8-bis(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 11036131
2-[4-(carboxymethyl)-7-(2,2-dihydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 166881958
2-(1,5-diazocan-1-yl)acetic acid
CID 20839708
2-[8-(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 170568662
2,3-diaminopropanoic acid;2-piperazin-1-ylacetic acid
CID 69404702
2-[4-(formyloxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 162694230
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-piperazin-1-ylacetyl iodide
CID 153235141

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-ylacetic acid;dihydrochloride?
The IUPAC name of 2-piperazin-1-ylacetic acid;dihydrochloride (CID 53433190) is 2-piperazin-1-ylacetic acid;dihydrochloride.
What is the SMILES notation for 2-piperazin-1-ylacetic acid;dihydrochloride?
The canonical SMILES for 2-piperazin-1-ylacetic acid;dihydrochloride is Cl.Cl.O=C(O)CN1CCNCC1.
What is the InChIKey of 2-piperazin-1-ylacetic acid;dihydrochloride?
The InChIKey is VRHFOVPTDPQEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.2ClH/c9-6(10)5-8-3-1-7-2-4-8;;/h7H,1-5H2,(H,9,10);2*1H.
What are the key properties of 2-piperazin-1-ylacetic acid;dihydrochloride?
2-piperazin-1-ylacetic acid;dihydrochloride has a molecular weight of 217.10 g/mol, XLogP of -0.18, 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;dihydrochloride is sourced from PubChem (CID 53433190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).