3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid

C15H28N2O2 — CID 65068628

IUPAC3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
SMILESCC(C)N1CCC(N2CCCC(C)(C(=O)O)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)16-9-5-13(6-10-16)17-8-4-7-15(3,11-17)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyDYKCOKVINYLEOX-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.05
Rot. Bonds3

About 3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid

3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 65068628) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
PubChem CID65068628
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid
SMILESCC(C)N1CCC(N2CCCC(C)(C(=O)O)C2)CC1
InChIInChI=1S/C15H28N2O2/c1-12(2)16-9-5-13(6-10-16)17-8-4-7-15(3,11-17)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19)
InChIKeyDYKCOKVINYLEOX-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
CID 65063878
3-methyl-1-(3-propan-2-ylcyclobutyl)piperidine-3-carboxylic acid
CID 103565147
1-(1-propan-2-ylpiperidin-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65065657
3-methyl-1-(3,3,5,5-tetramethylcyclohexyl)piperidine-3-carboxylic acid
CID 103961419
3-methyl-1-(1-propylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65076980
1-(1-cyclopentylethyl)-3-methylpiperidine-3-carboxylic acid
CID 65068812
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
1-(1-cyanoethyl)-3-methylpiperidine-3-carboxylic acid
CID 63136599
1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid
CID 65069203
4-ethyl-1-(1-propan-2-ylazepan-4-yl)piperidine-4-carboxylic acid
CID 65076489
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886
3-methyl-1-propan-2-ylsulfinylpiperidine-3-carboxylic acid
CID 131182189

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid (CID 65068628) is 3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid is CC(C)N1CCC(N2CCCC(C)(C(=O)O)C2)CC1.
What is the InChIKey of 3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is DYKCOKVINYLEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)16-9-5-13(6-10-16)17-8-4-7-15(3,11-17)14(18)19/h12-13H,4-11H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid?
3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 268.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 65068628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).