methyl 3-ethyl-5-methylpiperidine-1-carboxylate

C10H19NO2 — CID 172601898

IUPACmethyl 3-ethyl-5-methylpiperidine-1-carboxylate
SMILESCCC1CC(C)CN(C(=O)OC)C1
InChIInChI=1S/C10H19NO2/c1-4-9-5-8(2)6-11(7-9)10(12)13-3/h8-9H,4-7H2,1-3H3
InChIKeyIUPWAIXLKMESJE-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.12
Rot. Bonds1

About methyl 3-ethyl-5-methylpiperidine-1-carboxylate

methyl 3-ethyl-5-methylpiperidine-1-carboxylate (PubChem CID 172601898) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 3-ethyl-5-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-5-methylpiperidine-1-carboxylate
PubChem CID172601898
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 3-ethyl-5-methylpiperidine-1-carboxylate
SMILESCCC1CC(C)CN(C(=O)OC)C1
InChIInChI=1S/C10H19NO2/c1-4-9-5-8(2)6-11(7-9)10(12)13-3/h8-9H,4-7H2,1-3H3
InChIKeyIUPWAIXLKMESJE-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-aminoazetidine-1-carboxylate
CID 18331259
methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
CID 112543137
ethyl 3-ethyl-5-(methylamino)piperidine-1-carboxylate
CID 83989692
tert-butyl (3R,5S)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxylate
CID 118006982
2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid
CID 83989090
methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate
CID 83989091
2-methylpropyl 3-amino-5-methylpiperidine-1-carboxylate
CID 79994442
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
methyl 3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 130738551
methyl 2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetate
CID 112683938
tert-butyl (3R,5S)-3-amino-5-methylpiperidine-1-carboxylate
CID 67986310

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-5-methylpiperidine-1-carboxylate?
The IUPAC name of methyl 3-ethyl-5-methylpiperidine-1-carboxylate (CID 172601898) is methyl 3-ethyl-5-methylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-ethyl-5-methylpiperidine-1-carboxylate?
The canonical SMILES for methyl 3-ethyl-5-methylpiperidine-1-carboxylate is CCC1CC(C)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-ethyl-5-methylpiperidine-1-carboxylate?
The InChIKey is IUPWAIXLKMESJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-9-5-8(2)6-11(7-9)10(12)13-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 3-ethyl-5-methylpiperidine-1-carboxylate?
methyl 3-ethyl-5-methylpiperidine-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-5-methylpiperidine-1-carboxylate is sourced from PubChem (CID 172601898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).