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

C10H21BrN2O2 — CID 3051243

IUPAC(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide
SMILESCN(C)C(=O)OC1CCC[N+](C)(C)C1.[Br-]
InChIInChI=1S/C10H21N2O2.BrH/c1-11(2)10(13)14-9-6-5-7-12(3,4)8-9;/h9H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyRMLACMLGRUNRRE-UHFFFAOYSA-M
MW281.19 g/mol
LogP-2.07
Rot. Bonds1

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

(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide (PubChem CID 3051243) has the molecular formula C10H21BrN2O2 and a molecular weight of 281.19 g/mol. Its IUPAC name is (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide.

Molecular Properties

Compound Name(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide
PubChem CID3051243
Molecular FormulaC10H21BrN2O2
Molecular Weight281.19 g/mol
Exact Mass280.08
IUPAC Name(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide
SMILESCN(C)C(=O)OC1CCC[N+](C)(C)C1.[Br-]
InChIInChI=1S/C10H21N2O2.BrH/c1-11(2)10(13)14-9-6-5-7-12(3,4)8-9;/h9H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyRMLACMLGRUNRRE-UHFFFAOYSA-M
XLogP-2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 5-2.07
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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Related Compounds

1-Piperidinecarboxylic acid, diethylaminoethyl ester
CID 410183
Ammonium, (2-hydroxyethyl)trimethyl-, iodide, 1-piperidinecarboxylate
CID 46590
2-Oxazolidinone, 5-(1-piperidinylmethyl)-3-propyl-, monohydrobromide
CID 3040557
Tert-butyl 3-(aminooxy)piperidine-1-carboxylate
CID 68983062
(1-prop-2-ynylpiperidin-3-yl) N-ethyl-N-methylcarbamate
CID 162668773
Propan-2-yl 3-hydroxypiperidine-1-carboxylate
CID 61798544
piperidin-3-yl N,N-dimethylcarbamate hydrochloride
CID 121552397
[4-(Diethylamino)-1-methyl-butyl] 4-methylpiperazine-1-carboxylate
CID 515584
(1-Methyl-3-piperidyl) 4-methylpiperazine-1-carboxylate
CID 515588
2-(3-ethoxypiperidin-1-yl)ethyl N,N-dimethylcarbamate
CID 86789186
Trimethyl-[2-(piperidine-1-carbonyloxy)ethyl]azanium
CID 46591
5-(Piperidin-1-ylmethyl)-3-propyl-1,3-oxazolidin-2-one
CID 3040558

Frequently Asked Questions

What is the IUPAC name of (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide?
The IUPAC name of (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide (CID 3051243) is (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide.
What is the SMILES notation for (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide?
The canonical SMILES for (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide is CN(C)C(=O)OC1CCC[N+](C)(C)C1.[Br-].
What is the InChIKey of (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide?
The InChIKey is RMLACMLGRUNRRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21N2O2.BrH/c1-11(2)10(13)14-9-6-5-7-12(3,4)8-9;/h9H,5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of (1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide?
(1,1-dimethylpiperidin-1-ium-3-yl) N,N-dimethylcarbamate bromide has a molecular weight of 281.19 g/mol, XLogP of -2.07, 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 bromide is sourced from PubChem (CID 3051243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).