ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate

C12H26N4O2 — CID 112516726

IUPACethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(CN)N(C)C)CC1
InChIInChI=1S/C12H26N4O2/c1-4-18-12(17)16-7-5-15(6-8-16)10-11(9-13)14(2)3/h11H,4-10,13H2,1-3H3
InChIKeyQEWSCGBBZDQNIT-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.35
Rot. Bonds5

About ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate

ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate (PubChem CID 112516726) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate
PubChem CID112516726
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Nameethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(CN)N(C)C)CC1
InChIInChI=1S/C12H26N4O2/c1-4-18-12(17)16-7-5-15(6-8-16)10-11(9-13)14(2)3/h11H,4-10,13H2,1-3H3
InChIKeyQEWSCGBBZDQNIT-UHFFFAOYSA-N
XLogP-0.35
TPSA62.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 107877808
ethyl 4-(2-aminopropyl)piperazine-1-carboxylate
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CID 58181055
CID 58181055
ethyl 4-(2,3-diamino-3-oxopropyl)piperazine-1-carboxylate
CID 107877194
ethyl 4-(2,3-dihydroxypropyl)piperazine-1-carboxylate
CID 85186263
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid
CID 114011847
ethyl 4-[1-amino-3-(dimethylamino)propan-2-yl]piperazine-1-carboxylate
CID 112516727
ethyl 4-(2-chloro-2-cyanoethyl)piperazine-1-carboxylate
CID 107876953
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
ethyl 4-(3-amino-2-methylpropanoyl)piperazine-1-carboxylate
CID 62670367
ethyl 4-[2-(bromomethyl)-3,3-dimethylbutyl]piperazine-1-carboxylate
CID 107877601

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate (CID 112516726) is ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(CN)N(C)C)CC1.
What is the InChIKey of ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate?
The InChIKey is QEWSCGBBZDQNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-4-18-12(17)16-7-5-15(6-8-16)10-11(9-13)14(2)3/h11H,4-10,13H2,1-3H3.
What are the key properties of ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate?
ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate has a molecular weight of 258.37 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-amino-2-(dimethylamino)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 112516726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).