4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid

C12H19N3O2 — CID 114528845

IUPAC4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
SMILESCn1ccnc1CCC1(C(=O)O)CCNCC1
InChIInChI=1S/C12H19N3O2/c1-15-9-8-14-10(15)2-3-12(11(16)17)4-6-13-7-5-12/h8-9,13H,2-7H2,1H3,(H,16,17)
InChIKeyJCSAQQOPAIJWJZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.81
Rot. Bonds4

About 4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid

4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid (PubChem CID 114528845) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
PubChem CID114528845
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid
SMILESCn1ccnc1CCC1(C(=O)O)CCNCC1
InChIInChI=1S/C12H19N3O2/c1-15-9-8-14-10(15)2-3-12(11(16)17)4-6-13-7-5-12/h8-9,13H,2-7H2,1H3,(H,16,17)
InChIKeyJCSAQQOPAIJWJZ-UHFFFAOYSA-N
XLogP0.81
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
4-ethyl-1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114532598
2-[2-(1-methylimidazol-2-yl)ethyl]-1,3-dihydroindene-2-carboxylic acid
CID 114532607
1-(1-methylcyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114529606
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclopropane-1-carboxylic acid
CID 114528769
4-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 63293989
3-[2-(1-methylimidazol-2-yl)ethyl]-2,4-dihydrochromene-3-carboxylic acid
CID 114532606
3-fluoro-3-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114533123
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
1-[2-(1-methylimidazol-2-yl)ethylamino]cyclobutane-1-carboxylic acid
CID 114528794
3-hydroxy-3-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxylic acid
CID 114529248
1-(1-aminocyclopropyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 114533271

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid (CID 114528845) is 4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid is Cn1ccnc1CCC1(C(=O)O)CCNCC1.
What is the InChIKey of 4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid?
The InChIKey is JCSAQQOPAIJWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15-9-8-14-10(15)2-3-12(11(16)17)4-6-13-7-5-12/h8-9,13H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid?
4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylimidazol-2-yl)ethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 114528845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).