2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid

C17H31NO2 — CID 83199312

IUPAC2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC1CCC(N2CCCC(C(C)(C)C(=O)O)C2)C(C)C1
InChIInChI=1S/C17H31NO2/c1-12-7-8-15(13(2)10-12)18-9-5-6-14(11-18)17(3,4)16(19)20/h12-15H,5-11H2,1-4H3,(H,19,20)
InChIKeyMEDUPHCLMOHKPP-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.63
Rot. Bonds3

About 2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid

2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83199312) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83199312
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC1CCC(N2CCCC(C(C)(C)C(=O)O)C2)C(C)C1
InChIInChI=1S/C17H31NO2/c1-12-7-8-15(13(2)10-12)18-9-5-6-14(11-18)17(3,4)16(19)20/h12-15H,5-11H2,1-4H3,(H,19,20)
InChIKeyMEDUPHCLMOHKPP-UHFFFAOYSA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[1-(1-propylpiperidin-4-yl)piperidin-3-yl]propanoic acid
CID 83198549
2-methyl-2-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-3-yl]propanoic acid
CID 83198680
2-[1-(4,4-dimethylcycloheptyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83199295
1-(2,4-dimethylcyclohexyl)-3-methylpiperidine-3-carboxylic acid
CID 65069203
2-methyl-2-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197573
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
2-methyl-2-[1-(2-methylpyrrolidine-1-carbonyl)piperidin-3-yl]propanoic acid
CID 83197993
2-[1-(bicyclo[3.1.0]hexane-3-carbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197641
2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-3-yl]-2-methylpropanoic acid
CID 83197207
2-methyl-2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83197741
2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid
CID 66435669
2-methyl-2-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]propanoic acid
CID 112590712

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid (CID 83199312) is 2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid is CC1CCC(N2CCCC(C(C)(C)C(=O)O)C2)C(C)C1.
What is the InChIKey of 2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is MEDUPHCLMOHKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-12-7-8-15(13(2)10-12)18-9-5-6-14(11-18)17(3,4)16(19)20/h12-15H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 281.44 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylcyclohexyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83199312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).