ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate

C12H25N3O2 — CID 43252483

IUPACethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(CC)CCN)CC1
InChIInChI=1S/C12H25N3O2/c1-3-11(5-6-13)14-7-9-15(10-8-14)12(16)17-4-2/h11H,3-10,13H2,1-2H3
InChIKeyKECBZHAYLCVGJE-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.89
Rot. Bonds5

About ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate

ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate (PubChem CID 43252483) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
PubChem CID43252483
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Nameethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(CC)CCN)CC1
InChIInChI=1S/C12H25N3O2/c1-3-11(5-6-13)14-7-9-15(10-8-14)12(16)17-4-2/h11H,3-10,13H2,1-2H3
InChIKeyKECBZHAYLCVGJE-UHFFFAOYSA-N
XLogP0.89
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1-aminopentan-3-yl)piperazin-1-yl]ethanone
CID 43367590
tert-butyl 4-(1-aminopentan-3-yl)-1,4-diazepane-1-carboxylate
CID 43252186
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methoxyethanone
CID 61277957
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-methylbutan-1-one
CID 43252147
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]butan-1-one
CID 43252123
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]propan-1-one
CID 43252178
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-3-propoxypropan-1-one
CID 62688236
ethyl 4-[1-amino-3-(dimethylamino)propan-2-yl]piperazine-1-carboxylate
CID 112516727
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]-2-propan-2-yloxyethanone
CID 115949134
1-[4-(1-aminopentan-3-yl)piperazin-1-yl]-2-cyclobutylethanone
CID 103161385
1-[4-(1-aminopentan-3-yl)-1,4-diazepan-1-yl]pentan-1-one
CID 43252176
[4-(1-aminopentan-3-yl)piperazin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63085261

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate (CID 43252483) is ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(CC)CCN)CC1.
What is the InChIKey of ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate?
The InChIKey is KECBZHAYLCVGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-11(5-6-13)14-7-9-15(10-8-14)12(16)17-4-2/h11H,3-10,13H2,1-2H3.
What are the key properties of ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate?
ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-aminopentan-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 43252483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).