1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride

C8H16Cl2N2O2 — CID 86692749

IUPAC1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1(N2CCNCC2)CC1
InChIInChI=1S/C8H14N2O2.2ClH/c11-7(12)8(1-2-8)10-5-3-9-4-6-10;;/h9H,1-6H2,(H,11,12);2*1H
InChIKeyVWXOSTXVTNFJOJ-UHFFFAOYSA-N
MW243.13 g/mol
LogP0.35
Rot. Bonds2

About 1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride

1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride (PubChem CID 86692749) has the molecular formula C8H16Cl2N2O2 and a molecular weight of 243.13 g/mol. Its IUPAC name is 1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride
PubChem CID86692749
Molecular FormulaC8H16Cl2N2O2
Molecular Weight243.13 g/mol
Exact Mass242.06
IUPAC Name1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)C1(N2CCNCC2)CC1
InChIInChI=1S/C8H14N2O2.2ClH/c11-7(12)8(1-2-8)10-5-3-9-4-6-10;;/h9H,1-6H2,(H,11,12);2*1H
InChIKeyVWXOSTXVTNFJOJ-UHFFFAOYSA-N
XLogP0.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 50.35
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;dihydrochloride?
The IUPAC name of 1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride (CID 86692749) is 1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride.
What is the SMILES notation for 1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride?
The canonical SMILES for 1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)C1(N2CCNCC2)CC1.
What is the InChIKey of 1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride?
The InChIKey is VWXOSTXVTNFJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2.2ClH/c11-7(12)8(1-2-8)10-5-3-9-4-6-10;;/h9H,1-6H2,(H,11,12);2*1H.
What are the key properties of 1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride?
1-piperazin-1-ylcyclopropane-1-carboxylic acid;dihydrochloride has a molecular weight of 243.13 g/mol, XLogP of 0.35, 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;dihydrochloride is sourced from PubChem (CID 86692749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).