2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate

C20H39NO3 — CID 23344602

IUPAC2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate
SMILESCCCCC(CC)COC(=O)C1(C(O)C(C)C)CCNC(C)(C)C1
InChIInChI=1S/C20H39NO3/c1-7-9-10-16(8-2)13-24-18(23)20(17(22)15(3)4)11-12-21-19(5,6)14-20/h15-17,21-22H,7-14H2,1-6H3
InChIKeyNFHLQESCWRWZMO-UHFFFAOYSA-N
MW341.54 g/mol
LogP3.91
Rot. Bonds9

About 2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate

2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate (PubChem CID 23344602) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is 2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate.

Molecular Properties

Compound Name2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate
PubChem CID23344602
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC Name2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate
SMILESCCCCC(CC)COC(=O)C1(C(O)C(C)C)CCNC(C)(C)C1
InChIInChI=1S/C20H39NO3/c1-7-9-10-16(8-2)13-24-18(23)20(17(22)15(3)4)11-12-21-19(5,6)14-20/h15-17,21-22H,7-14H2,1-6H3
InChIKeyNFHLQESCWRWZMO-UHFFFAOYSA-N
XLogP3.91
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethylhexyl 3-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 63708179
2-ethylhexyl 2-propylpyrrolidine-2-carboxylate
CID 106978103
2-ethylhexyl 3-propylpiperidine-3-carboxylate
CID 63540459
2-ethylhexyl (2S)-2-amino-3-methylbutanoate
CID 61302679
2-ethylhexyl 2-methylbutanoate
CID 3023949
trans-bis(2-ethylhexyl) (1S,3R)-1,2,2-trimethylcyclopentane-1,3-dicarboxylate
CID 175056802
2-ethylhexyl 2-amino-3-hydroxybutanoate
CID 61302291
2-ethylhexyl 2-[2-(2-ethylhexoxy)-1-hydroxy-2-oxoethoxy]-2-hydroxyacetate
CID 150485594
2-ethylhexyl 2-(aminomethyl)-3-methylbutanoate
CID 65220547
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
2-ethylhexyl 4-ethyl-2-methyloctanoate
CID 150137070

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate?
The IUPAC name of 2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate (CID 23344602) is 2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate.
What is the SMILES notation for 2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate?
The canonical SMILES for 2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate is CCCCC(CC)COC(=O)C1(C(O)C(C)C)CCNC(C)(C)C1.
What is the InChIKey of 2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate?
The InChIKey is NFHLQESCWRWZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO3/c1-7-9-10-16(8-2)13-24-18(23)20(17(22)15(3)4)11-12-21-19(5,6)14-20/h15-17,21-22H,7-14H2,1-6H3.
What are the key properties of 2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate?
2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate has a molecular weight of 341.54 g/mol, XLogP of 3.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl 4-(1-hydroxy-2-methylpropyl)-2,2-dimethylpiperidine-4-carboxylate is sourced from PubChem (CID 23344602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).