piperidine-1,4-dicarboxylic acid

C7H11NO4 — CID 18542445

IUPACpiperidine-1,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C7H11NO4/c9-6(10)5-1-3-8(4-2-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKeyIIKFXOLJMNWWCH-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.46
Rot. Bonds1

About piperidine-1,4-dicarboxylic acid

piperidine-1,4-dicarboxylic acid (PubChem CID 18542445) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is piperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Namepiperidine-1,4-dicarboxylic acid
PubChem CID18542445
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namepiperidine-1,4-dicarboxylic acid
SMILESO=C(O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C7H11NO4/c9-6(10)5-1-3-8(4-2-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)
InChIKeyIIKFXOLJMNWWCH-UHFFFAOYSA-N
XLogP0.46
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
4-acetylpiperidine-1-carboxylic acid
CID 22135578
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid
CID 91321948
4-aminooxycarbonylpiperidine-1-carboxylic acid
CID 150077485
1-(C,N-dimethylcarbonimidoyl)piperidine-4-carboxylic acid
CID 59639391
1-[(E)-but-2-enoyl]piperidine-4-carboxylic acid
CID 24698061
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
1-carbamoylpyrrolidine-3-carboxylic acid
CID 19959123
1-pent-4-ynoylpiperidine-4-carboxylic acid
CID 103840880
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657

Frequently Asked Questions

What is the IUPAC name of piperidine-1,4-dicarboxylic acid?
The IUPAC name of piperidine-1,4-dicarboxylic acid (CID 18542445) is piperidine-1,4-dicarboxylic acid.
What is the SMILES notation for piperidine-1,4-dicarboxylic acid?
The canonical SMILES for piperidine-1,4-dicarboxylic acid is O=C(O)C1CCN(C(=O)O)CC1.
What is the InChIKey of piperidine-1,4-dicarboxylic acid?
The InChIKey is IIKFXOLJMNWWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c9-6(10)5-1-3-8(4-2-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12).
What are the key properties of piperidine-1,4-dicarboxylic acid?
piperidine-1,4-dicarboxylic acid has a molecular weight of 173.17 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 18542445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).