2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine

C25H39NO3 — CID 69490477

IUPAC2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine
SMILESC=CCOC1(OCC=C)CCC(C)(C)N(OC(C)c2ccccc2)C1(CC)CC
InChIInChI=1S/C25H39NO3/c1-8-19-27-25(28-20-9-2)18-17-23(6,7)26(24(25,10-3)11-4)29-21(5)22-15-13-12-14-16-22/h8-9,12-16,21H,1-2,10-11,17-20H2,3-7H3
InChIKeyUNXNFXYXPZNOSH-UHFFFAOYSA-N
MW401.59 g/mol
LogP6.21
Rot. Bonds11

About 2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine

2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine (PubChem CID 69490477) has the molecular formula C25H39NO3 and a molecular weight of 401.59 g/mol. Its IUPAC name is 2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine.

Molecular Properties

Compound Name2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine
PubChem CID69490477
Molecular FormulaC25H39NO3
Molecular Weight401.59 g/mol
Exact Mass401.29
IUPAC Name2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine
SMILESC=CCOC1(OCC=C)CCC(C)(C)N(OC(C)c2ccccc2)C1(CC)CC
InChIInChI=1S/C25H39NO3/c1-8-19-27-25(28-20-9-2)18-17-23(6,7)26(24(25,10-3)11-4)29-21(5)22-15-13-12-14-16-22/h8-9,12-16,21H,1-2,10-11,17-20H2,3-7H3
InChIKeyUNXNFXYXPZNOSH-UHFFFAOYSA-N
XLogP6.21
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.59
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine?
The IUPAC name of 2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine (CID 69490477) is 2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine.
What is the SMILES notation for 2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine?
The canonical SMILES for 2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine is C=CCOC1(OCC=C)CCC(C)(C)N(OC(C)c2ccccc2)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine?
The InChIKey is UNXNFXYXPZNOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39NO3/c1-8-19-27-25(28-20-9-2)18-17-23(6,7)26(24(25,10-3)11-4)29-21(5)22-15-13-12-14-16-22/h8-9,12-16,21H,1-2,10-11,17-20H2,3-7H3.
What are the key properties of 2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine?
2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine has a molecular weight of 401.59 g/mol, XLogP of 6.21, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-6,6-dimethyl-1-(1-phenylethoxy)-3,3-bis(prop-2-enoxy)piperidine is sourced from PubChem (CID 69490477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).