4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid

C12H19N3O2 — CID 18446350

IUPAC4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCCn2ccnc2)CCN1
InChIInChI=1S/C12H19N3O2/c16-12(17)11-8-10(3-4-14-11)2-1-6-15-7-5-13-9-15/h5,7,9-11,14H,1-4,6,8H2,(H,16,17)
InChIKeyIRTDOHPCDLCCLK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.12
Rot. Bonds5

About 4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid

4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid (PubChem CID 18446350) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid
PubChem CID18446350
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCCn2ccnc2)CCN1
InChIInChI=1S/C12H19N3O2/c16-12(17)11-8-10(3-4-14-11)2-1-6-15-7-5-13-9-15/h5,7,9-11,14H,1-4,6,8H2,(H,16,17)
InChIKeyIRTDOHPCDLCCLK-UHFFFAOYSA-N
XLogP1.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid (CID 18446350) is 4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid is O=C(O)C1CC(CCCn2ccnc2)CCN1.
What is the InChIKey of 4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid?
The InChIKey is IRTDOHPCDLCCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-12(17)11-8-10(3-4-14-11)2-1-6-15-7-5-13-9-15/h5,7,9-11,14H,1-4,6,8H2,(H,16,17).
What are the key properties of 4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid?
4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylpropyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 18446350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).