4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid

C15H25NO3 — CID 63782781

IUPAC4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1CCCC(C)N1C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-10-4-3-5-11(2)16(10)14(17)12-6-8-13(9-7-12)15(18)19/h10-13H,3-9H2,1-2H3,(H,18,19)
InChIKeySDOZZCKJMKSXBB-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds2

About 4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid

4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid (PubChem CID 63782781) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
PubChem CID63782781
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
SMILESCC1CCCC(C)N1C(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c1-10-4-3-5-11(2)16(10)14(17)12-6-8-13(9-7-12)15(18)19/h10-13H,3-9H2,1-2H3,(H,18,19)
InChIKeySDOZZCKJMKSXBB-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid (CID 63782781) is 4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid is CC1CCCC(C)N1C(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
The InChIKey is SDOZZCKJMKSXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-10-4-3-5-11(2)16(10)14(17)12-6-8-13(9-7-12)15(18)19/h10-13H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid?
4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63782781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).