3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid

C17H31NO2 — CID 103961419

IUPAC3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
SMILESCC1(C)CC(N2CCCC(C)(C(=O)O)C2)CC(C)(C)C1
InChIInChI=1S/C17H31NO2/c1-15(2)9-13(10-16(3,4)11-15)18-8-6-7-17(5,12-18)14(19)20/h13H,6-12H2,1-5H3,(H,19,20)
InChIKeyKMXDSWUTFOGATL-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.78
Rot. Bonds2

About 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid

3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid (PubChem CID 103961419) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
PubChem CID103961419
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
SMILESCC1(C)CC(N2CCCC(C)(C(=O)O)C2)CC(C)(C)C1
InChIInChI=1S/C17H31NO2/c1-15(2)9-13(10-16(3,4)11-15)18-8-6-7-17(5,12-18)14(19)20/h13H,6-12H2,1-5H3,(H,19,20)
InChIKeyKMXDSWUTFOGATL-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid
CID 103565147
3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
CID 65068628
3-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)piperidine-3-carboxylic acid
CID 79894442
1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid
CID 65069203
1-amino-3-methylpiperidine-3-carboxylic acid
CID 151231433
3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid
CID 106664242
3-methyl-1-(1-propylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65076980
1-(3,3,5,5-tetramethylcyclohexyl)-1,5-diazocane
CID 103968297
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
1-[(3,3-dimethylcyclopentyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 114549111
1-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 79633712
3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
CID 65063878

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid (CID 103961419) is 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid is CC1(C)CC(N2CCCC(C)(C(=O)O)C2)CC(C)(C)C1.
What is the InChIKey of 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid?
The InChIKey is KMXDSWUTFOGATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-15(2)9-13(10-16(3,4)11-15)18-8-6-7-17(5,12-18)14(19)20/h13H,6-12H2,1-5H3,(H,19,20).
What are the key properties of 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid?
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid has a molecular weight of 281.44 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 103961419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).