2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid

C15H27NO2 — CID 102630639

IUPAC2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid
SMILESCC1C(N2CCCCC2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C15H27NO2/c1-11-13(16-9-5-4-6-10-16)8-7-12(14(17)18)15(11,2)3/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyNTWDYBXJMYFDOJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.00
Rot. Bonds2

About 2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid

2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid (PubChem CID 102630639) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid
PubChem CID102630639
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid
SMILESCC1C(N2CCCCC2)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C15H27NO2/c1-11-13(16-9-5-4-6-10-16)8-7-12(14(17)18)15(11,2)3/h11-13H,4-10H2,1-3H3,(H,17,18)
InChIKeyNTWDYBXJMYFDOJ-UHFFFAOYSA-N
XLogP3.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid (CID 102630639) is 2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid is CC1C(N2CCCCC2)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid?
The InChIKey is NTWDYBXJMYFDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-13(16-9-5-4-6-10-16)8-7-12(14(17)18)15(11,2)3/h11-13H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid?
2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid has a molecular weight of 253.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-4-piperidin-1-ylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 102630639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).