methyl 4,4-dimethoxypiperidine-1-carboxylate

C9H17NO4 — CID 84581625

IUPACmethyl 4,4-dimethoxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(OC)(OC)CC1
InChIInChI=1S/C9H17NO4/c1-12-8(11)10-6-4-9(13-2,14-3)5-7-10/h4-7H2,1-3H3
InChIKeyARVCNGOLZRGVTD-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.84
Rot. Bonds2

About methyl 4,4-dimethoxypiperidine-1-carboxylate

methyl 4,4-dimethoxypiperidine-1-carboxylate (PubChem CID 84581625) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is methyl 4,4-dimethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4,4-dimethoxypiperidine-1-carboxylate
PubChem CID84581625
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Namemethyl 4,4-dimethoxypiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(OC)(OC)CC1
InChIInChI=1S/C9H17NO4/c1-12-8(11)10-6-4-9(13-2,14-3)5-7-10/h4-7H2,1-3H3
InChIKeyARVCNGOLZRGVTD-UHFFFAOYSA-N
XLogP0.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
methyl 1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 110396649
methyl 4-carbamothioyl-4-methylpiperidine-1-carboxylate
CID 107161220
tert-butyl 3,3-dimethoxypyrrolidine-1-carboxylate;methanol
CID 156848744
methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate
CID 83907150
methyl 2-propan-2-yl-7-azaspiro[3.5]nonane-7-carboxylate
CID 71244313
CID 123683302
CID 123683302
methyl morpholine-4-carboxylate
CID 12575354
methyl piperazin-4-ium-1-carboxylate
CID 6992848
methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate
CID 175259340

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-dimethoxypiperidine-1-carboxylate?
The IUPAC name of methyl 4,4-dimethoxypiperidine-1-carboxylate (CID 84581625) is methyl 4,4-dimethoxypiperidine-1-carboxylate.
What is the SMILES notation for methyl 4,4-dimethoxypiperidine-1-carboxylate?
The canonical SMILES for methyl 4,4-dimethoxypiperidine-1-carboxylate is COC(=O)N1CCC(OC)(OC)CC1.
What is the InChIKey of methyl 4,4-dimethoxypiperidine-1-carboxylate?
The InChIKey is ARVCNGOLZRGVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-12-8(11)10-6-4-9(13-2,14-3)5-7-10/h4-7H2,1-3H3.
What are the key properties of methyl 4,4-dimethoxypiperidine-1-carboxylate?
methyl 4,4-dimethoxypiperidine-1-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-dimethoxypiperidine-1-carboxylate is sourced from PubChem (CID 84581625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).