(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate

C10H21N2O2+ — CID 3051244

IUPAC(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1CCC[N+](C)(C)C1
InChIInChI=1S/C10H21N2O2/c1-11(2)10(13)14-9-6-5-7-12(3,4)8-9/h9H,5-8H2,1-4H3/q+1
InChIKeyDCHNOAGSWLKFGR-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.92
Rot. Bonds1

About (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate

(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate (PubChem CID 3051244) has the molecular formula C10H21N2O2+ and a molecular weight of 201.29 g/mol. Its IUPAC name is (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate.

Molecular Properties

Compound Name(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate
PubChem CID3051244
Molecular FormulaC10H21N2O2+
Molecular Weight201.29 g/mol
Exact Mass201.16
IUPAC Name(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC1CCC[N+](C)(C)C1
InChIInChI=1S/C10H21N2O2/c1-11(2)10(13)14-9-6-5-7-12(3,4)8-9/h9H,5-8H2,1-4H3/q+1
InChIKeyDCHNOAGSWLKFGR-UHFFFAOYSA-N
XLogP0.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate?
The IUPAC name of (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate (CID 3051244) is (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate.
What is the SMILES notation for (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate?
The canonical SMILES for (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate is CN(C)C(=O)OC1CCC[N+](C)(C)C1.
What is the InChIKey of (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate?
The InChIKey is DCHNOAGSWLKFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O2/c1-11(2)10(13)14-9-6-5-7-12(3,4)8-9/h9H,5-8H2,1-4H3/q+1.
What are the key properties of (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate?
(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate has a molecular weight of 201.29 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate is sourced from PubChem (CID 3051244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).