2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid

C17H31NO2 — CID 63069609

IUPAC2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N2CC(C)CC(C)C2)C1
InChIInChI=1S/C17H31NO2/c1-4-5-14-6-7-15(17(19)20)16(9-14)18-10-12(2)8-13(3)11-18/h12-16H,4-11H2,1-3H3,(H,19,20)
InChIKeyGVJUNZZLBVRNCD-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.63
Rot. Bonds4

About 2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid

2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid (PubChem CID 63069609) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
PubChem CID63069609
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(N2CC(C)CC(C)C2)C1
InChIInChI=1S/C17H31NO2/c1-4-5-14-6-7-15(17(19)20)16(9-14)18-10-12(2)8-13(3)11-18/h12-16H,4-11H2,1-3H3,(H,19,20)
InChIKeyGVJUNZZLBVRNCD-UHFFFAOYSA-N
XLogP3.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-(3-methylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63069621
2-(2,6-dimethylmorpholin-4-yl)-4-propylcyclohexane-1-carboxylic acid
CID 63068743
4-propyl-2-(2,3,5-trimethylpiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 114597377
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexan-1-amine
CID 54932872
2-(3-propylazetidin-1-yl)cyclohexane-1-carboxylic acid
CID 79694598
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propylcyclohexane-1-carboxylic acid
CID 79935193
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 103540460
2-pentan-2-yl-4-propylcyclohexane-1-carboxylic acid
CID 107889260
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 63067084
4-ethyl-2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 63620374
2-[2-(dimethylamino)ethyl-methylamino]-4-propylcyclohexane-1-carboxylic acid
CID 63725690
2-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylcyclohexane-1-carboxylic acid
CID 63068626

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid (CID 63069609) is 2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(N2CC(C)CC(C)C2)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid?
The InChIKey is GVJUNZZLBVRNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-4-5-14-6-7-15(17(19)20)16(9-14)18-10-12(2)8-13(3)11-18/h12-16H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid?
2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid has a molecular weight of 281.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)-4-propylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63069609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).