ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate

C17H25NO5 — CID 3019743

IUPACethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC)(OC)C(OCc2ccccc2)C1
InChIInChI=1S/C17H25NO5/c1-4-22-16(19)18-11-10-17(20-2,21-3)15(12-18)23-13-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3
InChIKeyGBEMWQAUUZLZOG-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.42
Rot. Bonds6

About ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate

ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate (PubChem CID 3019743) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate
PubChem CID3019743
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Nameethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC)(OC)C(OCc2ccccc2)C1
InChIInChI=1S/C17H25NO5/c1-4-22-16(19)18-11-10-17(20-2,21-3)15(12-18)23-13-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3
InChIKeyGBEMWQAUUZLZOG-UHFFFAOYSA-N
XLogP2.42
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate 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 ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate?
The IUPAC name of ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate (CID 3019743) is ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate is CCOC(=O)N1CCC(OC)(OC)C(OCc2ccccc2)C1.
What is the InChIKey of ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate?
The InChIKey is GBEMWQAUUZLZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-4-22-16(19)18-11-10-17(20-2,21-3)15(12-18)23-13-14-8-6-5-7-9-14/h5-9,15H,4,10-13H2,1-3H3.
What are the key properties of ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate?
ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,4-dimethoxy-3-phenylmethoxypiperidine-1-carboxylate is sourced from PubChem (CID 3019743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).