piperazine-1-carboxylate;piperazin-1-ium

C9H20N4O2 — CID 139202384

IUPACpiperazine-1-carboxylate;piperazin-1-ium
SMILESC1C[NH2+]CCN1.O=C([O-])N1CCNCC1
InChIInChI=1S/C5H10N2O2.C4H10N2/c8-5(9)7-3-1-6-2-4-7;1-2-6-4-3-5-1/h6H,1-4H2,(H,8,9);5-6H,1-4H2
InChIKeyONNZUOIQLMQXOP-UHFFFAOYSA-N
MW216.28 g/mol
LogP-3.61
Rot. Bonds

About piperazine-1-carboxylate;piperazin-1-ium

piperazine-1-carboxylate;piperazin-1-ium (PubChem CID 139202384) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is piperazine-1-carboxylate;piperazin-1-ium.

Molecular Properties

Compound Namepiperazine-1-carboxylate;piperazin-1-ium
PubChem CID139202384
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC Namepiperazine-1-carboxylate;piperazin-1-ium
SMILESC1C[NH2+]CCN1.O=C([O-])N1CCNCC1
InChIInChI=1S/C5H10N2O2.C4H10N2/c8-5(9)7-3-1-6-2-4-7;1-2-6-4-3-5-1/h6H,1-4H2,(H,8,9);5-6H,1-4H2
InChIKeyONNZUOIQLMQXOP-UHFFFAOYSA-N
XLogP-3.61
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-3.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Piperazinyldiketone
CID 13750373
Piperazin-4-ium-1-carboxylate
CID 24201562
Piperazine-1,4-dicarboxylate;bis(piperazin-1-ium);trihydrate
CID 139202381
(NE)-N-(piperazine-1-carbonylimino)piperazine-1-carboxamide
CID 15177232
1-[2-(2-Oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 21114083
Piperazine-1-carboxylate
CID 21904562
4-[(Piperazin-1-yl)acetyl]piperazin-2-one
CID 29008626
1-(3-Oxopiperazin-1-yl)-2-piperazin-1-ylethane-1,2-dione
CID 43145085
Piperazine-1-carbonyl piperazine-1-carboxylate
CID 53763722
1,1'-(Azodicarbonyl)dipiperazine
CID 54471820
Bis((2-piperazin-1-ylethylamino)methanone);rutherfordium
CID 57681498
[4-(Oxomethyl)piperazin-1-yl]methanone;bis(piperazin-1-ylmethanone);bis(rutherfordium)
CID 57776449

Frequently Asked Questions

What is the IUPAC name of piperazine-1-carboxylate;piperazin-1-ium?
The IUPAC name of piperazine-1-carboxylate;piperazin-1-ium (CID 139202384) is piperazine-1-carboxylate;piperazin-1-ium.
What is the SMILES notation for piperazine-1-carboxylate;piperazin-1-ium?
The canonical SMILES for piperazine-1-carboxylate;piperazin-1-ium is C1C[NH2+]CCN1.O=C([O-])N1CCNCC1.
What is the InChIKey of piperazine-1-carboxylate;piperazin-1-ium?
The InChIKey is ONNZUOIQLMQXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2.C4H10N2/c8-5(9)7-3-1-6-2-4-7;1-2-6-4-3-5-1/h6H,1-4H2,(H,8,9);5-6H,1-4H2.
What are the key properties of piperazine-1-carboxylate;piperazin-1-ium?
piperazine-1-carboxylate;piperazin-1-ium has a molecular weight of 216.28 g/mol, XLogP of -3.61, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine-1-carboxylate;piperazin-1-ium is sourced from PubChem (CID 139202384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).