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'}

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Related Compounds

Oxapium Iodide
CID 168884
Piperidinium, 1-((2,2-diphenyl-1,3-dioxolan-4-yl)methyl)-1-methyl-, iodide (1:1)
CID 210301
Benzyl 4-Hydroxy-1-piperidinecarboxylate
CID 2794620
Oxapium
CID 4613
cis-Benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 11252963
Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate
CID 22147363
Ethyl 4-(3-(benzyloxy)-2-hydroxypropyl)piperazine-1-carboxylate hydrochloride
CID 2770557
Dibenzyl 1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-dicarboxylate
CID 2829026
Ethyl 4-(2-hydroxy-3-(1-phenylpropoxy)propyl)piperazine-1-carboxylate hydrochloride
CID 6603413
(1R,2S)-2-(benzyloxy)-7-oxa-5-aza-bicyclo[3.2.1]octan-6-one
CID 24901100
1,3-Dioxolane, 2,2-diphenyl-4-(1-methyl-2-piperidyl)-
CID 59209
Benzyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate
CID 13016598

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).