1-piperazin-1-ylcyclopropane-1-carboxylic acid

C8H14N2O2 — CID 67204833

IUPAC1-piperazin-1-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(N2CCNCC2)CC1
InChIInChI=1S/C8H14N2O2/c11-7(12)8(1-2-8)10-5-3-9-4-6-10/h9H,1-6H2,(H,11,12)
InChIKeyHDTINWJCIDYFPP-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.49
Rot. Bonds2

About 1-piperazin-1-ylcyclopropane-1-carboxylic acid

1-piperazin-1-ylcyclopropane-1-carboxylic acid (PubChem CID 67204833) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-piperazin-1-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-piperazin-1-ylcyclopropane-1-carboxylic acid
PubChem CID67204833
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name1-piperazin-1-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(N2CCNCC2)CC1
InChIInChI=1S/C8H14N2O2/c11-7(12)8(1-2-8)10-5-3-9-4-6-10/h9H,1-6H2,(H,11,12)
InChIKeyHDTINWJCIDYFPP-UHFFFAOYSA-N
XLogP-0.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-piperazin-1-ylcyclopropane-1-carboxylic acid (CID 67204833) is 1-piperazin-1-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-piperazin-1-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-piperazin-1-ylcyclopropane-1-carboxylic acid is O=C(O)C1(N2CCNCC2)CC1.
What is the InChIKey of 1-piperazin-1-ylcyclopropane-1-carboxylic acid?
The InChIKey is HDTINWJCIDYFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-7(12)8(1-2-8)10-5-3-9-4-6-10/h9H,1-6H2,(H,11,12).
What are the key properties of 1-piperazin-1-ylcyclopropane-1-carboxylic acid?
1-piperazin-1-ylcyclopropane-1-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 67204833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).