2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride

C10H22Cl2N2O2 — CID 53420787

IUPAC2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride
SMILESCC(C)CN1CCN(CC(=O)O)CC1.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-9(2)7-11-3-5-12(6-4-11)8-10(13)14;;/h9H,3-8H2,1-2H3,(H,13,14);2*1H
InChIKeyMPOLKXIYJCHMST-UHFFFAOYSA-N
MW273.20 g/mol
LogP1.19
Rot. Bonds4

About 2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride

2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride (PubChem CID 53420787) has the molecular formula C10H22Cl2N2O2 and a molecular weight of 273.20 g/mol. Its IUPAC name is 2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride
PubChem CID53420787
Molecular FormulaC10H22Cl2N2O2
Molecular Weight273.20 g/mol
Exact Mass272.11
IUPAC Name2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride
SMILESCC(C)CN1CCN(CC(=O)O)CC1.Cl.Cl
InChIInChI=1S/C10H20N2O2.2ClH/c1-9(2)7-11-3-5-12(6-4-11)8-10(13)14;;/h9H,3-8H2,1-2H3,(H,13,14);2*1H
InChIKeyMPOLKXIYJCHMST-UHFFFAOYSA-N
XLogP1.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(carboxymethyl)-4,10-bis(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 15798973
2-[4,7-bis(carboxymethyl)-10-(2-sulfanylpropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 134517440
calcium;tris(2-[4,7-bis(carboxymethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid);gadolinium(2+);gadolinium(3+)
CID 163448358
2-[4,8-bis(carboxymethyl)-11-(2-hydroxypropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
CID 91490050
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid
CID 56716645
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 62777980
2-[4,7-bis(carboxymethyl)-10-(2-oxo-3-sulfanylbutyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167028279
2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
CID 166175465
2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 56946868
2-[4-(carboxymethyl)-7-(methylamino)-1,4,7-triazonan-1-yl]acetic acid
CID 149028587

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride?
The IUPAC name of 2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride (CID 53420787) is 2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride.
What is the SMILES notation for 2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride?
The canonical SMILES for 2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride is CC(C)CN1CCN(CC(=O)O)CC1.Cl.Cl.
What is the InChIKey of 2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride?
The InChIKey is MPOLKXIYJCHMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.2ClH/c1-9(2)7-11-3-5-12(6-4-11)8-10(13)14;;/h9H,3-8H2,1-2H3,(H,13,14);2*1H.
What are the key properties of 2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride?
2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride has a molecular weight of 273.20 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride is sourced from PubChem (CID 53420787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).