1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid

C13H21N3O2 — CID 106744805

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCn1ccnc1CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H21N3O2/c1-3-15-7-5-14-12(15)9-16-6-4-11(13(17)18)8-10(16)2/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyZAVYMAUIDOHYAD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.59
Rot. Bonds4

About 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid

1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744805) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744805
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid
SMILESCCn1ccnc1CN1CCC(C(=O)O)CC1C
InChIInChI=1S/C13H21N3O2/c1-3-15-7-5-14-12(15)9-16-6-4-11(13(17)18)8-10(16)2/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,17,18)
InChIKeyZAVYMAUIDOHYAD-UHFFFAOYSA-N
XLogP1.59
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidin-4-amine
CID 115313237
1-[(1-ethylimidazol-2-yl)methyl]azocane-2-carboxylic acid
CID 114239952
2-methyl-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidine-4-carboxylic acid
CID 106745131
1-[(2R)-2-[(2S)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95758515
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperazine
CID 82761036
methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate
CID 78990366
1-[4-[[4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 154798166
(2S)-1-[(1-ethylimidazol-2-yl)methyl]-2-methyl-4-propylpiperazine
CID 100838868
2-methyl-1-[(1-pentan-3-ylpyrazol-3-yl)methyl]piperidine-4-carboxylic acid
CID 106744899
1-[(3-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745667
(4aS,8aR)-1-[(1-ethylimidazol-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100901496
2-methyl-1-[(2-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 106745213

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid (CID 106744805) is 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid is CCn1ccnc1CN1CCC(C(=O)O)CC1C.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is ZAVYMAUIDOHYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-15-7-5-14-12(15)9-16-6-4-11(13(17)18)8-10(16)2/h5,7,10-11H,3-4,6,8-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid?
1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).