3-ethyl-3-methylpiperidine-4-carboxylic acid

C9H17NO2 — CID 84654143

IUPAC3-ethyl-3-methylpiperidine-4-carboxylic acid
SMILESCCC1(C)CNCCC1C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-9(2)6-10-5-4-7(9)8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyFXISWHUWNASFHQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds2

About 3-ethyl-3-methylpiperidine-4-carboxylic acid

3-ethyl-3-methylpiperidine-4-carboxylic acid (PubChem CID 84654143) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-ethyl-3-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-3-methylpiperidine-4-carboxylic acid
PubChem CID84654143
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-ethyl-3-methylpiperidine-4-carboxylic acid
SMILESCCC1(C)CNCCC1C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-9(2)6-10-5-4-7(9)8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyFXISWHUWNASFHQ-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541
(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride
CID 163342247
4,4-diethylpyrrolidine-3-carboxylic acid
CID 63939611
2-ethyl-2-methyl-N-piperidin-4-yl-N-propylcyclopropane-1-carboxamide;hydrochloride
CID 119824697
ethyl 3,3-difluoropiperidine-4-carboxylate
CID 105446715
2-ethyl-2-methyl-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 119426750
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
4-methyl-4-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
CID 116536139
4,4-dimethylpiperidine-3-carboxylic acid
CID 83669924
(3R,4S)-3-ethyl-3,4-dimethylpyrrolidine
CID 130186897
cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone
CID 116570196
trans-(1S,4S)-4-ethyl-4-hydroxy-2,2-dimethylcyclohexane-1-carboxylic acid
CID 126657384

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methylpiperidine-4-carboxylic acid?
The IUPAC name of 3-ethyl-3-methylpiperidine-4-carboxylic acid (CID 84654143) is 3-ethyl-3-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-3-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 3-ethyl-3-methylpiperidine-4-carboxylic acid is CCC1(C)CNCCC1C(=O)O.
What is the InChIKey of 3-ethyl-3-methylpiperidine-4-carboxylic acid?
The InChIKey is FXISWHUWNASFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-9(2)6-10-5-4-7(9)8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-ethyl-3-methylpiperidine-4-carboxylic acid?
3-ethyl-3-methylpiperidine-4-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 84654143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).