4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid

C14H25NO2 — CID 114994673

IUPAC4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2CCCCC2C)CC1
InChIInChI=1S/C14H25NO2/c1-11-6-8-14(9-7-11,13(16)17)15-10-4-3-5-12(15)2/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyCGODSTKPFBTPPA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.89
Rot. Bonds2

About 4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid

4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 114994673) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID114994673
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(C(=O)O)(N2CCCCC2C)CC1
InChIInChI=1S/C14H25NO2/c1-11-6-8-14(9-7-11,13(16)17)15-10-4-3-5-12(15)2/h11-12H,3-10H2,1-2H3,(H,16,17)
InChIKeyCGODSTKPFBTPPA-UHFFFAOYSA-N
XLogP2.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpiperidin-1-yl)oxane-4-carboxylic acid
CID 82235017
4-methyl-1-(3-methylpyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 82235061
[4-methyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43176277
1-(2-ethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114994693
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-methylcyclohexane-1-carboxylic acid
CID 114996562
3-(2-methylazetidin-1-yl)pyrrolidine-3-carboxylic acid
CID 164655461
1-(2,5-dioxopyrrolidin-1-yl)-4-methylcyclohexane-1-carboxylic acid
CID 61291058
4-methyl-1-(4-oxo-1-pyridinyl)cyclohexane-1-carboxylic acid
CID 114992103
1-(cyclopentylcarbamoylamino)-4-methylcyclohexane-1-carboxylic acid
CID 16791650
4-methyl-1-(4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)cyclohexane-1-carboxylic acid
CID 79580790
1-(cyclopentanecarbonylamino)-4-methylcyclohexane-1-carboxylic acid
CID 43341471
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 114994673) is 4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid is CC1CCC(C(=O)O)(N2CCCCC2C)CC1.
What is the InChIKey of 4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is CGODSTKPFBTPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-6-8-14(9-7-11,13(16)17)15-10-4-3-5-12(15)2/h11-12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114994673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).