methyl 6-ethylpiperidine-3-carboxylate

C9H17NO2 — CID 67033324

IUPACmethyl 6-ethylpiperidine-3-carboxylate
SMILESCCC1CCC(C(=O)OC)CN1
InChIInChI=1S/C9H17NO2/c1-3-8-5-4-7(6-10-8)9(11)12-2/h7-8,10H,3-6H2,1-2H3
InChIKeyUZEQMPFHOHHHOB-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds2

About methyl 6-ethylpiperidine-3-carboxylate

methyl 6-ethylpiperidine-3-carboxylate (PubChem CID 67033324) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl 6-ethylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethylpiperidine-3-carboxylate
PubChem CID67033324
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl 6-ethylpiperidine-3-carboxylate
SMILESCCC1CCC(C(=O)OC)CN1
InChIInChI=1S/C9H17NO2/c1-3-8-5-4-7(6-10-8)9(11)12-2/h7-8,10H,3-6H2,1-2H3
InChIKeyUZEQMPFHOHHHOB-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-(piperidin-3-yl)propanoate hydrochloride
CID 47000746
Methyl 6-methylpiperidine-3-carboxylate hydrochloride
CID 57443242
Ethyl 4-(ethylamino)cyclohexane-1-carboxylate
CID 57617608
3-Piperidinecarboxylic acid, 6,6-dimethyl-, methyl ester
CID 67033379
Tert-butyl 6-methylpiperidine-3-carboxylate
CID 121553495
Methyl 2-azabicyclo(2.2.2)octane-4-carboxylate hydrochloride
CID 138106303
Methyl decahydroquinoline-3-carboxylate
CID 83915860
3-Piperidinecarboxylic acid, 2,6-dimethyl-, ethyl ester, (2R,3R,6S)-
CID 121553752
rac-tert-butyl (2R,3R,6S)-2,6-dimethylpiperidine-3-carboxylate hydrochloride
CID 122155903
3-Piperidinecarboxylic acid, 2,6-dimethyl-, 1,1-dimethylethyl ester
CID 122163221
Methyl 2,6-dimethylpiperidine-3-carboxylate hydrochloride
CID 122163899
Methyl 2-(5,5-dimethylpiperidin-2-yl)acetate hydrochloride
CID 137944063

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethylpiperidine-3-carboxylate?
The IUPAC name of methyl 6-ethylpiperidine-3-carboxylate (CID 67033324) is methyl 6-ethylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 6-ethylpiperidine-3-carboxylate?
The canonical SMILES for methyl 6-ethylpiperidine-3-carboxylate is CCC1CCC(C(=O)OC)CN1.
What is the InChIKey of methyl 6-ethylpiperidine-3-carboxylate?
The InChIKey is UZEQMPFHOHHHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-8-5-4-7(6-10-8)9(11)12-2/h7-8,10H,3-6H2,1-2H3.
What are the key properties of methyl 6-ethylpiperidine-3-carboxylate?
methyl 6-ethylpiperidine-3-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethylpiperidine-3-carboxylate is sourced from PubChem (CID 67033324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).