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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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).