4-propylpiperidine-1,4-dicarboxylic acid

C10H17NO4 — CID 91190681

IUPAC4-propylpiperidine-1,4-dicarboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-2-3-10(8(12)13)4-6-11(7-5-10)9(14)15/h2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyQFEVBIJRVDBXNE-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.63
Rot. Bonds3

About 4-propylpiperidine-1,4-dicarboxylic acid

4-propylpiperidine-1,4-dicarboxylic acid (PubChem CID 91190681) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-propylpiperidine-1,4-dicarboxylic acid.

Molecular Properties

Compound Name4-propylpiperidine-1,4-dicarboxylic acid
PubChem CID91190681
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-propylpiperidine-1,4-dicarboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)O)CC1
InChIInChI=1S/C10H17NO4/c1-2-3-10(8(12)13)4-6-11(7-5-10)9(14)15/h2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyQFEVBIJRVDBXNE-UHFFFAOYSA-N
XLogP1.63
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-4-propylpiperidine-4-carboxylic acid
CID 63125183
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-hexanoyl-4-propylpiperidine-4-carboxylic acid
CID 55178926
1-(tert-butylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125699
4-ethylazepane-1,4-dicarboxylic acid
CID 123426716
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-[2-[(2-aminoacetyl)amino]acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63126073
1-(2-propan-2-ylsulfanylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 63125609
1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
4-(chloromethyl)piperidine-1,4-dicarboxylic acid
CID 123497269
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-[2-(aminomethyl)pentanoyl]-4-propylpiperidine-4-carboxylic acid
CID 65228065

Frequently Asked Questions

What is the IUPAC name of 4-propylpiperidine-1,4-dicarboxylic acid?
The IUPAC name of 4-propylpiperidine-1,4-dicarboxylic acid (CID 91190681) is 4-propylpiperidine-1,4-dicarboxylic acid.
What is the SMILES notation for 4-propylpiperidine-1,4-dicarboxylic acid?
The canonical SMILES for 4-propylpiperidine-1,4-dicarboxylic acid is CCCC1(C(=O)O)CCN(C(=O)O)CC1.
What is the InChIKey of 4-propylpiperidine-1,4-dicarboxylic acid?
The InChIKey is QFEVBIJRVDBXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-3-10(8(12)13)4-6-11(7-5-10)9(14)15/h2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-propylpiperidine-1,4-dicarboxylic acid?
4-propylpiperidine-1,4-dicarboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylpiperidine-1,4-dicarboxylic acid is sourced from PubChem (CID 91190681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).