methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate

C13H21N3O2 — CID 78990366

IUPACmethyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate
SMILESCCn1ccnc1CN1CCCCC1C(=O)OC
InChIInChI=1S/C13H21N3O2/c1-3-15-9-7-14-12(15)10-16-8-5-4-6-11(16)13(17)18-2/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyPDVCHFNUZAGDBF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.43
Rot. Bonds4

About methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate

methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate (PubChem CID 78990366) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate
PubChem CID78990366
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namemethyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate
SMILESCCn1ccnc1CN1CCCCC1C(=O)OC
InChIInChI=1S/C13H21N3O2/c1-3-15-9-7-14-12(15)10-16-8-5-4-6-11(16)13(17)18-2/h7,9,11H,3-6,8,10H2,1-2H3
InChIKeyPDVCHFNUZAGDBF-UHFFFAOYSA-N
XLogP1.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]azocane-2-carboxylic acid
CID 114239952
methyl (2R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxylate
CID 113331160
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
CID 113330911
1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 56704411
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 62028229
methyl (2R)-1-(pyridin-4-ylmethyl)piperidine-2-carboxylate
CID 115371320
(2R)-1-[(1-ethylimidazol-2-yl)methyl]-N-[2-(4-methoxyphenyl)phenyl]pyrrolidine-2-carboxamide
CID 25274155
(4aS,8aR)-1-[(1-ethylimidazol-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100901496
ethyl (2S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-2-carboxylate
CID 124545322
methyl 1-[(5-chloropyrazin-2-yl)methyl]piperidine-2-carboxylate
CID 103055321
methyl 1-[(4-ethylphenyl)methyl]piperidine-2-carboxylate
CID 78992339
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate (CID 78990366) is methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate is CCn1ccnc1CN1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate?
The InChIKey is PDVCHFNUZAGDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-15-9-7-14-12(15)10-16-8-5-4-6-11(16)13(17)18-2/h7,9,11H,3-6,8,10H2,1-2H3.
What are the key properties of methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate?
methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(1-ethylimidazol-2-yl)methyl]piperidine-2-carboxylate is sourced from PubChem (CID 78990366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).