4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid

C18H33NO2 — CID 114597377

IUPAC4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N2CC(C)CC(C)C2C)C1
InChIInChI=1S/C18H33NO2/c1-5-6-15-7-8-16(18(20)21)17(10-15)19-11-12(2)9-13(3)14(19)4/h12-17H,5-11H2,1-4H3,(H,20,21)
InChIKeyFOZZAKQBDLAOEY-UHFFFAOYSA-N
MW295.47 g/mol
LogP4.02
Rot. Bonds4

About 4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid

4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 114597377) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID114597377
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N2CC(C)CC(C)C2C)C1
InChIInChI=1S/C18H33NO2/c1-5-6-15-7-8-16(18(20)21)17(10-15)19-11-12(2)9-13(3)14(19)4/h12-17H,5-11H2,1-4H3,(H,20,21)
InChIKeyFOZZAKQBDLAOEY-UHFFFAOYSA-N
XLogP4.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,5-trimethylpiperidin-1-yl)cyclobutane-1-carboxylic acid
CID 114594006
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069609
2-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069621
2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63068743
2-(2,3-dimethylpiperidin-1-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 55146133
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexane-1-carboxylic acid
CID 79935193
[4-ethyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexyl]methanamine
CID 114592315
2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694598
2-[(2-methylpropan-2-yl)oxy]-4-propylcyclohexane-1-carboxylic acid
CID 114991724
2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
CID 107889260
2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid
CID 63725690
2-(2-methylpropyl)-4-propylcyclohexane-1-carboxylic acid
CID 81020731

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid (CID 114597377) is 4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(N2CC(C)CC(C)C2C)C1.
What is the InChIKey of 4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is FOZZAKQBDLAOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-5-6-15-7-8-16(18(20)21)17(10-15)19-11-12(2)9-13(3)14(19)4/h12-17H,5-11H2,1-4H3,(H,20,21).
What are the key properties of 4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid?
4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 295.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114597377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).