[2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate

C30H51NO3 — CID 141020114

IUPAC[2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate
SMILESCCCCCCCCCC(=O)OC1CC(CC)N(OC(C)c2ccccc2)C(C)(CC)C1(C)C
InChIInChI=1S/C30H51NO3/c1-8-11-12-13-14-15-19-22-28(32)33-27-23-26(9-2)31(30(7,10-3)29(27,5)6)34-24(4)25-20-17-16-18-21-25/h16-18,20-21,24,26-27H,8-15,19,22-23H2,1-7H3
InChIKeyVEWORUULOVVJDW-UHFFFAOYSA-N
MW473.74 g/mol
LogP8.41
Rot. Bonds14

About [2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate

[2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate (PubChem CID 141020114) has the molecular formula C30H51NO3 and a molecular weight of 473.74 g/mol. Its IUPAC name is [2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate.

Molecular Properties

Compound Name[2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate
PubChem CID141020114
Molecular FormulaC30H51NO3
Molecular Weight473.74 g/mol
Exact Mass473.39
IUPAC Name[2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate
SMILESCCCCCCCCCC(=O)OC1CC(CC)N(OC(C)c2ccccc2)C(C)(CC)C1(C)C
InChIInChI=1S/C30H51NO3/c1-8-11-12-13-14-15-19-22-28(32)33-27-23-26(9-2)31(30(7,10-3)29(27,5)6)34-24(4)25-20-17-16-18-21-25/h16-18,20-21,24,26-27H,8-15,19,22-23H2,1-7H3
InChIKeyVEWORUULOVVJDW-UHFFFAOYSA-N
XLogP8.41
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.74
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate 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

[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] tridecanoate
CID 21361323
[2-ethyl-2,6,6-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] heptanoate
CID 21361369
[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl] undecanoate
CID 21361324
[[2,6-diethyl-2,5,6-trimethyl-1-(1-phenylethoxy)-3H-pyridin-4-yl]amino] octadecanoate
CID 90872838
N-[(4S)-2,2-diethyl-6,6-dimethyl-1-[(1S)-1-phenylethoxy]piperidin-4-yl]nonanamide
CID 129394565
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]octanamide
CID 22992781
N-[2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)piperidin-4-yl]tridecanamide
CID 22992807
acetic acid;[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] octanoate
CID 174817653
N-[(1R)-1-phenylethoxy]decanamide
CID 174849050
4-[1-(2-dodecanoyloxy-1-phenylethoxy)-2,2,6,6-tetramethylpiperidin-4-yl]oxy-4-oxobutanoic acid
CID 139948137
benzhydryl hexacosanoate
CID 23119643
N-[(1S)-1-phenylethyl]decanamide
CID 98131360

Frequently Asked Questions

What is the IUPAC name of [2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate?
The IUPAC name of [2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate (CID 141020114) is [2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate.
What is the SMILES notation for [2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate?
The canonical SMILES for [2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate is CCCCCCCCCC(=O)OC1CC(CC)N(OC(C)c2ccccc2)C(C)(CC)C1(C)C.
What is the InChIKey of [2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate?
The InChIKey is VEWORUULOVVJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H51NO3/c1-8-11-12-13-14-15-19-22-28(32)33-27-23-26(9-2)31(30(7,10-3)29(27,5)6)34-24(4)25-20-17-16-18-21-25/h16-18,20-21,24,26-27H,8-15,19,22-23H2,1-7H3.
What are the key properties of [2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate?
[2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate has a molecular weight of 473.74 g/mol, XLogP of 8.41, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-diethyl-2,3,3-trimethyl-1-(1-phenylethoxy)piperidin-4-yl] decanoate is sourced from PubChem (CID 141020114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).