2-(dimethylamino)ethyl piperazine-1-carboxylate

C9H19N3O2 — CID 154187930

IUPAC2-(dimethylamino)ethyl piperazine-1-carboxylate
SMILESCN(C)CCOC(=O)N1CCNCC1
InChIInChI=1S/C9H19N3O2/c1-11(2)7-8-14-9(13)12-5-3-10-4-6-12/h10H,3-8H2,1-2H3
InChIKeyFKSQRVRVGDTVBA-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.41
Rot. Bonds3

About 2-(dimethylamino)ethyl piperazine-1-carboxylate

2-(dimethylamino)ethyl piperazine-1-carboxylate (PubChem CID 154187930) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl piperazine-1-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl piperazine-1-carboxylate
PubChem CID154187930
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-(dimethylamino)ethyl piperazine-1-carboxylate
SMILESCN(C)CCOC(=O)N1CCNCC1
InChIInChI=1S/C9H19N3O2/c1-11(2)7-8-14-9(13)12-5-3-10-4-6-12/h10H,3-8H2,1-2H3
InChIKeyFKSQRVRVGDTVBA-UHFFFAOYSA-N
XLogP-0.41
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
2,2-dimethylpropyl piperazine-1-carboxylate
CID 68583868
ethyl piperazine-1-carboxylate;sulfuric acid
CID 69107916
ethane;ethyl 1,4-diazepane-1-carboxylate
CID 143666787
ethyl piperazine-1-carboxylate;formyl chloride
CID 174617176
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
bis(ethenyl) 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
CID 14938690
3,3-diethylhex-5-enyl piperazine-1-carboxylate
CID 129160317
N-(3-methoxypropyl)-N-methylpiperazine-1-carboxamide
CID 62983933
3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
N,N-dimethyldecan-1-amine;piperazine-1-carboxylic acid
CID 162263600
2,3-dihydroxypropyl piperazine-1-carboxylate
CID 174287516

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl piperazine-1-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl piperazine-1-carboxylate (CID 154187930) is 2-(dimethylamino)ethyl piperazine-1-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl piperazine-1-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl piperazine-1-carboxylate is CN(C)CCOC(=O)N1CCNCC1.
What is the InChIKey of 2-(dimethylamino)ethyl piperazine-1-carboxylate?
The InChIKey is FKSQRVRVGDTVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-11(2)7-8-14-9(13)12-5-3-10-4-6-12/h10H,3-8H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl piperazine-1-carboxylate?
2-(dimethylamino)ethyl piperazine-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of -0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl piperazine-1-carboxylate is sourced from PubChem (CID 154187930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).