1-(1-methoxypropyl)piperazine

C8H18N2O — CID 59020794

IUPAC1-(1-methoxypropyl)piperazine
SMILESCCC(OC)N1CCNCC1
InChIInChI=1S/C8H18N2O/c1-3-8(11-2)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3
InChIKeyKHBCUUYRLANTIY-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.27
Rot. Bonds3

About 1-(1-methoxypropyl)piperazine

1-(1-methoxypropyl)piperazine (PubChem CID 59020794) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-(1-methoxypropyl)piperazine.

Molecular Properties

Compound Name1-(1-methoxypropyl)piperazine
PubChem CID59020794
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-(1-methoxypropyl)piperazine
SMILESCCC(OC)N1CCNCC1
InChIInChI=1S/C8H18N2O/c1-3-8(11-2)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3
InChIKeyKHBCUUYRLANTIY-UHFFFAOYSA-N
XLogP0.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropyl)piperazine?
The IUPAC name of 1-(1-methoxypropyl)piperazine (CID 59020794) is 1-(1-methoxypropyl)piperazine.
What is the SMILES notation for 1-(1-methoxypropyl)piperazine?
The canonical SMILES for 1-(1-methoxypropyl)piperazine is CCC(OC)N1CCNCC1.
What is the InChIKey of 1-(1-methoxypropyl)piperazine?
The InChIKey is KHBCUUYRLANTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-8(11-2)10-6-4-9-5-7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-(1-methoxypropyl)piperazine?
1-(1-methoxypropyl)piperazine has a molecular weight of 158.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropyl)piperazine is sourced from PubChem (CID 59020794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).