ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate

C15H20N2O4 — CID 783485

IUPACethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H20N2O4/c1-2-19-15(18)17-7-5-16(6-8-17)10-12-3-4-13-14(9-12)21-11-20-13/h3-4,9H,2,5-8,10-11H2,1H3
InChIKeyLSNQTZDZIAOMCI-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.69
Rot. Bonds3

About ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate

ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate (PubChem CID 783485) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate
PubChem CID783485
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C15H20N2O4/c1-2-19-15(18)17-7-5-16(6-8-17)10-12-3-4-13-14(9-12)21-11-20-13/h3-4,9H,2,5-8,10-11H2,1H3
InChIKeyLSNQTZDZIAOMCI-UHFFFAOYSA-N
XLogP1.69
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Piperine
CID 638024
1-Piperonylpiperazine
CID 94426
Pipernonaline
CID 9974595
Chavicine
CID 1548912
Dehydropipernonaline
CID 6439947
Piperettine
CID 10244953
Ilepcimide
CID 641115
2,4-Pentadien-1-one, 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-, (2E,4E)-
CID 4840
Medibazine
CID 30974
(1,3-Dioxaindan-5-ylmethyl)(methyl)amine
CID 421238
Piperundecalidine
CID 44453654
1,3-Pentadiene, 1-(3,4-methylenedioxybenzyl)-5-(piperidine-1-yl)-
CID 5370189

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate (CID 783485) is ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1.
What is the InChIKey of ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate?
The InChIKey is LSNQTZDZIAOMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-19-15(18)17-7-5-16(6-8-17)10-12-3-4-13-14(9-12)21-11-20-13/h3-4,9H,2,5-8,10-11H2,1H3.
What are the key properties of ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate?
ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carboxylate is sourced from PubChem (CID 783485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).