prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate

C10H19N3O2 — CID 127503309

IUPACprop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(CCN)CC1
InChIInChI=1S/C10H19N3O2/c1-2-9-15-10(14)13-7-5-12(4-3-11)6-8-13/h2H,1,3-9,11H2
InChIKeyBLIQHJLVUFSHMB-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.11
Rot. Bonds4

About prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate

prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate (PubChem CID 127503309) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate
PubChem CID127503309
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nameprop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate
SMILESC=CCOC(=O)N1CCN(CCN)CC1
InChIInChI=1S/C10H19N3O2/c1-2-9-15-10(14)13-7-5-12(4-3-11)6-8-13/h2H,1,3-9,11H2
InChIKeyBLIQHJLVUFSHMB-UHFFFAOYSA-N
XLogP-0.11
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252392
prop-2-enyl piperidine-1-carboxylate;hydrochloride
CID 139812322
tert-butyl 4-(2-aminoethyl)piperazine-1-carboxylate;hydrochloride
CID 134159111
ethyl 4-[2-(4-ethoxycarbonylpiperazin-1-yl)ethyl]piperazine-1-carboxylate
CID 23424429
prop-2-enyl 4-(1-hydroxyethyl)piperazine-1-carboxylate
CID 70468827
2-methylbutan-2-yl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 129103300
prop-2-enyl 4-iodopiperidine-1-carboxylate
CID 130407658
3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide
CID 62325479
methyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 174315697
phenyl 4-(2-aminoethyl)-1,4-diazepane-1-carboxylate
CID 43252389
tert-butyl 4-[[1-(2-aminoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176580703
ethyl 4-hexylpiperazine-1-carboxylate
CID 78822686

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate (CID 127503309) is prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate is C=CCOC(=O)N1CCN(CCN)CC1.
What is the InChIKey of prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate?
The InChIKey is BLIQHJLVUFSHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-2-9-15-10(14)13-7-5-12(4-3-11)6-8-13/h2H,1,3-9,11H2.
What are the key properties of prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate?
prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate has a molecular weight of 213.28 g/mol, XLogP of -0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-(2-aminoethyl)piperazine-1-carboxylate is sourced from PubChem (CID 127503309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).