3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid

C18H25NO4 — CID 57262586

IUPAC3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid
SMILESCCC1(C(=O)O)C(C)NC(C)C(C)(C(=O)O)C1c1ccccc1
InChIInChI=1S/C18H25NO4/c1-5-18(16(22)23)12(3)19-11(2)17(4,15(20)21)14(18)13-9-7-6-8-10-13/h6-12,14,19H,5H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyKUFKGYDGGQMFLM-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.72
Rot. Bonds4

About 3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid

3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid (PubChem CID 57262586) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid
PubChem CID57262586
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid
SMILESCCC1(C(=O)O)C(C)NC(C)C(C)(C(=O)O)C1c1ccccc1
InChIInChI=1S/C18H25NO4/c1-5-18(16(22)23)12(3)19-11(2)17(4,15(20)21)14(18)13-9-7-6-8-10-13/h6-12,14,19H,5H2,1-4H3,(H,20,21)(H,22,23)
InChIKeyKUFKGYDGGQMFLM-UHFFFAOYSA-N
XLogP2.72
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid?
The IUPAC name of 3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid (CID 57262586) is 3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid.
What is the SMILES notation for 3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid?
The canonical SMILES for 3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid is CCC1(C(=O)O)C(C)NC(C)C(C)(C(=O)O)C1c1ccccc1.
What is the InChIKey of 3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid?
The InChIKey is KUFKGYDGGQMFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-5-18(16(22)23)12(3)19-11(2)17(4,15(20)21)14(18)13-9-7-6-8-10-13/h6-12,14,19H,5H2,1-4H3,(H,20,21)(H,22,23).
What are the key properties of 3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid?
3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid has a molecular weight of 319.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,5,6-trimethyl-4-phenylpiperidine-3,5-dicarboxylic acid is sourced from PubChem (CID 57262586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).