methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate

C10H17N3O2 — CID 91136339

IUPACmethyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2=NCCN2)CC1
InChIInChI=1S/C10H17N3O2/c1-15-9(14)8-2-6-13(7-3-8)10-11-4-5-12-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyPMFCISIDJCFRMA-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.17
Rot. Bonds1

About methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate

methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate (PubChem CID 91136339) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate
PubChem CID91136339
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Namemethyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C2=NCCN2)CC1
InChIInChI=1S/C10H17N3O2/c1-15-9(14)8-2-6-13(7-3-8)10-11-4-5-12-10/h8H,2-7H2,1H3,(H,11,12)
InChIKeyPMFCISIDJCFRMA-UHFFFAOYSA-N
XLogP-0.17
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate (CID 91136339) is methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate is COC(=O)C1CCN(C2=NCCN2)CC1.
What is the InChIKey of methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate?
The InChIKey is PMFCISIDJCFRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-15-9(14)8-2-6-13(7-3-8)10-11-4-5-12-10/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate?
methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate has a molecular weight of 211.26 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 91136339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).