methyl N-(1,2-dimethylpiperidin-3-yl)carbamate

C9H18N2O2 — CID 126988217

IUPACmethyl N-(1,2-dimethylpiperidin-3-yl)carbamate
SMILESCOC(=O)NC1CCCN(C)C1C
InChIInChI=1S/C9H18N2O2/c1-7-8(10-9(12)13-3)5-4-6-11(7)2/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyWYDYYNLSROSXOA-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.83
Rot. Bonds1

About methyl N-(1,2-dimethylpiperidin-3-yl)carbamate

methyl N-(1,2-dimethylpiperidin-3-yl)carbamate (PubChem CID 126988217) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl N-(1,2-dimethylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1,2-dimethylpiperidin-3-yl)carbamate
PubChem CID126988217
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Namemethyl N-(1,2-dimethylpiperidin-3-yl)carbamate
SMILESCOC(=O)NC1CCCN(C)C1C
InChIInChI=1S/C9H18N2O2/c1-7-8(10-9(12)13-3)5-4-6-11(7)2/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyWYDYYNLSROSXOA-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,2-dimethylpiperidin-3-yl)urea
CID 127013120
methyl 4-[[(2S,3R)-1,2-dimethylpiperidin-3-yl]carbamoyl]benzoate
CID 97350843
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
ethane;methyl N-(2-methylcyclopentyl)carbamate
CID 145397332
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
trans-(1R,2R)-2-(methoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 84654598
methyl N-[(1S,2S)-2-iodocycloheptyl]carbamate
CID 134934490
methyl N-(2-methyloxolan-3-yl)carbamate
CID 115869605
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
(2R)-1,2-dimethylpyrrolidine;ethane;methanol;methyl pyrrolidine-1-carboxylate
CID 170572335
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214

Frequently Asked Questions

What is the IUPAC name of methyl N-(1,2-dimethylpiperidin-3-yl)carbamate?
The IUPAC name of methyl N-(1,2-dimethylpiperidin-3-yl)carbamate (CID 126988217) is methyl N-(1,2-dimethylpiperidin-3-yl)carbamate.
What is the SMILES notation for methyl N-(1,2-dimethylpiperidin-3-yl)carbamate?
The canonical SMILES for methyl N-(1,2-dimethylpiperidin-3-yl)carbamate is COC(=O)NC1CCCN(C)C1C.
What is the InChIKey of methyl N-(1,2-dimethylpiperidin-3-yl)carbamate?
The InChIKey is WYDYYNLSROSXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7-8(10-9(12)13-3)5-4-6-11(7)2/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of methyl N-(1,2-dimethylpiperidin-3-yl)carbamate?
methyl N-(1,2-dimethylpiperidin-3-yl)carbamate has a molecular weight of 186.25 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1,2-dimethylpiperidin-3-yl)carbamate is sourced from PubChem (CID 126988217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).