(6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate

C24H31NO2 — CID 21330442

IUPAC(6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate
SMILESCCC1(C)CC(OC(=O)c2ccccc2)C(C)C(C)(c2ccccc2)N1C
InChIInChI=1S/C24H31NO2/c1-6-23(3)17-21(27-22(26)19-13-9-7-10-14-19)18(2)24(4,25(23)5)20-15-11-8-12-16-20/h7-16,18,21H,6,17H2,1-5H3
InChIKeyYEFXVQDZDPVIGX-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.27
Rot. Bonds4

About (6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate

(6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate (PubChem CID 21330442) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate.

Molecular Properties

Compound Name(6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate
PubChem CID21330442
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate
SMILESCCC1(C)CC(OC(=O)c2ccccc2)C(C)C(C)(c2ccccc2)N1C
InChIInChI=1S/C24H31NO2/c1-6-23(3)17-21(27-22(26)19-13-9-7-10-14-19)18(2)24(4,25(23)5)20-15-11-8-12-16-20/h7-16,18,21H,6,17H2,1-5H3
InChIKeyYEFXVQDZDPVIGX-UHFFFAOYSA-N
XLogP5.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate 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

[2,6-diethyl-2,3,6-trimethyl-1-(oxiran-2-ylmethyl)piperidin-4-yl] benzoate
CID 21330414
(2-benzoyloxy-4-hydroxy-4-methylcyclopentyl) benzoate
CID 54070858
(1,2,2,6,6-pentamethyl-3-phenylmethoxypiperidin-4-yl) benzoate
CID 67876077
3-O-benzyl 1-O-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl) 2-benzyl-2-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate
CID 70150593
[1-benzyl-2,6-dimethyl-2,6-bis(2-methylpropyl)-3-propan-2-ylpiperidin-4-yl] benzoate
CID 21330440
[4-(hydroxymethyl)-2-bicyclo[2.1.1]hexanyl] benzoate
CID 146435073
[(3S,4S,5R)-5-ethyl-3-(hydroxymethyl)-3,4-dimethyloxolan-2-yl] benzoate
CID 160965809
2-[2,6-diethyl-2,3,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl]oxy-2-oxoacetic acid
CID 141020106
[(1S,2S)-2-methyl-3-oxocyclobutyl] benzoate
CID 176887724
butane;[(4R,6S)-2,2,6-trimethylpiperidin-4-yl] benzoate
CID 130476048
bis[2,6-diethyl-2,3,6-trimethyl-1-(2-phenylethoxy)piperidin-4-yl] but-2-enedioate
CID 91158379
dibenzyl 2,2-bis(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)propanedioate
CID 18358563

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate?
The IUPAC name of (6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate (CID 21330442) is (6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate.
What is the SMILES notation for (6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate?
The canonical SMILES for (6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate is CCC1(C)CC(OC(=O)c2ccccc2)C(C)C(C)(c2ccccc2)N1C.
What is the InChIKey of (6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate?
The InChIKey is YEFXVQDZDPVIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-6-23(3)17-21(27-22(26)19-13-9-7-10-14-19)18(2)24(4,25(23)5)20-15-11-8-12-16-20/h7-16,18,21H,6,17H2,1-5H3.
What are the key properties of (6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate?
(6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate has a molecular weight of 365.52 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-1,2,3,6-tetramethyl-2-phenylpiperidin-4-yl) benzoate is sourced from PubChem (CID 21330442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).