piperazine;piperidine-1-carboxylic acid

C10H21N3O2 — CID 70415704

IUPACpiperazine;piperidine-1-carboxylic acid
SMILESC1CNCCN1.O=C(O)N1CCCCC1
InChIInChI=1S/C6H11NO2.C4H10N2/c8-6(9)7-4-2-1-3-5-7;1-2-6-4-3-5-1/h1-5H2,(H,8,9);5-6H,1-4H2
InChIKeySXOPQZCSEQIBRO-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.33
Rot. Bonds

About piperazine;piperidine-1-carboxylic acid

piperazine;piperidine-1-carboxylic acid (PubChem CID 70415704) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is piperazine;piperidine-1-carboxylic acid.

Molecular Properties

Compound Namepiperazine;piperidine-1-carboxylic acid
PubChem CID70415704
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Namepiperazine;piperidine-1-carboxylic acid
SMILESC1CNCCN1.O=C(O)N1CCCCC1
InChIInChI=1S/C6H11NO2.C4H10N2/c8-6(9)7-4-2-1-3-5-7;1-2-6-4-3-5-1/h1-5H2,(H,8,9);5-6H,1-4H2
InChIKeySXOPQZCSEQIBRO-UHFFFAOYSA-N
XLogP0.33
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperazine;piperidine-1-carboxylic acid?
The IUPAC name of piperazine;piperidine-1-carboxylic acid (CID 70415704) is piperazine;piperidine-1-carboxylic acid.
What is the SMILES notation for piperazine;piperidine-1-carboxylic acid?
The canonical SMILES for piperazine;piperidine-1-carboxylic acid is C1CNCCN1.O=C(O)N1CCCCC1.
What is the InChIKey of piperazine;piperidine-1-carboxylic acid?
The InChIKey is SXOPQZCSEQIBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.C4H10N2/c8-6(9)7-4-2-1-3-5-7;1-2-6-4-3-5-1/h1-5H2,(H,8,9);5-6H,1-4H2.
What are the key properties of piperazine;piperidine-1-carboxylic acid?
piperazine;piperidine-1-carboxylic acid has a molecular weight of 215.30 g/mol, XLogP of 0.33, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;piperidine-1-carboxylic acid is sourced from PubChem (CID 70415704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).