methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate

C12H19N3O2 — CID 115536883

IUPACmethyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CCn1ccnc1
InChIInChI=1S/C12H19N3O2/c1-17-12(16)11-4-2-3-6-15(11)9-8-14-7-5-13-10-14/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyPDKCLRUWOLRIKJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.91
Rot. Bonds4

About methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate

methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate (PubChem CID 115536883) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate
PubChem CID115536883
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Namemethyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CCn1ccnc1
InChIInChI=1S/C12H19N3O2/c1-17-12(16)11-4-2-3-6-15(11)9-8-14-7-5-13-10-14/h5,7,10-11H,2-4,6,8-9H2,1H3
InChIKeyPDKCLRUWOLRIKJ-UHFFFAOYSA-N
XLogP0.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
CID 113330911
methyl 1-(2-hydroxy-3-imidazol-1-ylpropyl)azetidine-2-carboxylate
CID 23274573
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
1-(3-imidazol-1-ylpropyl)pyrrolidine-2-carboxylic acid
CID 61493051
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 62028229
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
methyl 1-(5-aminopentyl)piperidine-2-carboxylate
CID 115533674
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
CID 78927348

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate (CID 115536883) is methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1CCn1ccnc1.
What is the InChIKey of methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate?
The InChIKey is PDKCLRUWOLRIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-17-12(16)11-4-2-3-6-15(11)9-8-14-7-5-13-10-14/h5,7,10-11H,2-4,6,8-9H2,1H3.
What are the key properties of methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate?
methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-imidazol-1-ylethyl)piperidine-2-carboxylate is sourced from PubChem (CID 115536883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).