propyl piperazine-1-carboxylate

C8H16N2O2 — CID 22393735

IUPACpropyl piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-2-7-12-8(11)10-5-3-9-4-6-10/h9H,2-7H2,1H3
InChIKeyIGXBNWXKQPCCCJ-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.44
Rot. Bonds2

About propyl piperazine-1-carboxylate

propyl piperazine-1-carboxylate (PubChem CID 22393735) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is propyl piperazine-1-carboxylate.

Molecular Properties

Compound Namepropyl piperazine-1-carboxylate
PubChem CID22393735
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namepropyl piperazine-1-carboxylate
SMILESCCCOC(=O)N1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-2-7-12-8(11)10-5-3-9-4-6-10/h9H,2-7H2,1H3
InChIKeyIGXBNWXKQPCCCJ-UHFFFAOYSA-N
XLogP0.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl piperazine-1-carboxylate?
The IUPAC name of propyl piperazine-1-carboxylate (CID 22393735) is propyl piperazine-1-carboxylate.
What is the SMILES notation for propyl piperazine-1-carboxylate?
The canonical SMILES for propyl piperazine-1-carboxylate is CCCOC(=O)N1CCNCC1.
What is the InChIKey of propyl piperazine-1-carboxylate?
The InChIKey is IGXBNWXKQPCCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-7-12-8(11)10-5-3-9-4-6-10/h9H,2-7H2,1H3.
What are the key properties of propyl piperazine-1-carboxylate?
propyl piperazine-1-carboxylate has a molecular weight of 172.23 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl piperazine-1-carboxylate is sourced from PubChem (CID 22393735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).