piperazine;2-piperazin-1-ylhexanedioic acid

C14H28N4O4 — CID 157149096

IUPACpiperazine;2-piperazin-1-ylhexanedioic acid
SMILESC1CNCCN1.O=C(O)CCCC(C(=O)O)N1CCNCC1
InChIInChI=1S/C10H18N2O4.C4H10N2/c13-9(14)3-1-2-8(10(15)16)12-6-4-11-5-7-12;1-2-6-4-3-5-1/h8,11H,1-7H2,(H,13,14)(H,15,16);5-6H,1-4H2
InChIKeyALAUXXXBKKBAPB-UHFFFAOYSA-N
MW316.40 g/mol
LogP-1.22
Rot. Bonds6

About piperazine;2-piperazin-1-ylhexanedioic acid

piperazine;2-piperazin-1-ylhexanedioic acid (PubChem CID 157149096) has the molecular formula C14H28N4O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is piperazine;2-piperazin-1-ylhexanedioic acid.

Molecular Properties

Compound Namepiperazine;2-piperazin-1-ylhexanedioic acid
PubChem CID157149096
Molecular FormulaC14H28N4O4
Molecular Weight316.40 g/mol
Exact Mass316.21
IUPAC Namepiperazine;2-piperazin-1-ylhexanedioic acid
SMILESC1CNCCN1.O=C(O)CCCC(C(=O)O)N1CCNCC1
InChIInChI=1S/C10H18N2O4.C4H10N2/c13-9(14)3-1-2-8(10(15)16)12-6-4-11-5-7-12;1-2-6-4-3-5-1/h8,11H,1-7H2,(H,13,14)(H,15,16);5-6H,1-4H2
InChIKeyALAUXXXBKKBAPB-UHFFFAOYSA-N
XLogP-1.22
TPSA113.93 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 5-1.22
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-[7-(1-carboxy-3-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]-4-hydroxybutanoic acid;gadolinium
CID 175945589
2-[4,7-bis(1,3-dicarboxypropyl)-1,4,7-triazonan-1-yl]pentanedioic acid
CID 102518327
2-[4-(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoic acid
CID 57254174
2-(1,4,7,10-tetrazacyclododec-1-yl)hex-5-enoic acid
CID 174209258
2-piperazin-1-ylbutanedioic acid;dihydrochloride
CID 68966423
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
4-phenyl-2-(1,4,7,10-tetrazacyclododec-1-yl)butanoic acid
CID 141113240
bis(hexanedioic acid);piperazine
CID 159642331
4-(1,4-dicarboxybutyl)-3-methyl-1,4,7,10-tetrazacyclododecane-1,7-dicarboxylic acid
CID 23209455
4-amino-3-[4,7-bis(1-amino-3-carboxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]-4-oxobutanoic acid
CID 90006182
2-(1,4-diazepan-1-yl)butanoic acid
CID 60992815
dodecanoic acid;1-propan-2-ylpiperazine
CID 175450596

Frequently Asked Questions

What is the IUPAC name of piperazine;2-piperazin-1-ylhexanedioic acid?
The IUPAC name of piperazine;2-piperazin-1-ylhexanedioic acid (CID 157149096) is piperazine;2-piperazin-1-ylhexanedioic acid.
What is the SMILES notation for piperazine;2-piperazin-1-ylhexanedioic acid?
The canonical SMILES for piperazine;2-piperazin-1-ylhexanedioic acid is C1CNCCN1.O=C(O)CCCC(C(=O)O)N1CCNCC1.
What is the InChIKey of piperazine;2-piperazin-1-ylhexanedioic acid?
The InChIKey is ALAUXXXBKKBAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4.C4H10N2/c13-9(14)3-1-2-8(10(15)16)12-6-4-11-5-7-12;1-2-6-4-3-5-1/h8,11H,1-7H2,(H,13,14)(H,15,16);5-6H,1-4H2.
What are the key properties of piperazine;2-piperazin-1-ylhexanedioic acid?
piperazine;2-piperazin-1-ylhexanedioic acid has a molecular weight of 316.40 g/mol, XLogP of -1.22, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;2-piperazin-1-ylhexanedioic acid is sourced from PubChem (CID 157149096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).