1-[2-(methoxymethyl)phenyl]-3-propylpiperazine

C15H24N2O — CID 64925936

IUPAC1-[2-(methoxymethyl)phenyl]-3-propylpiperazine
SMILESCCCC1CN(c2ccccc2COC)CCN1
InChIInChI=1S/C15H24N2O/c1-3-6-14-11-17(10-9-16-14)15-8-5-4-7-13(15)12-18-2/h4-5,7-8,14,16H,3,6,9-12H2,1-2H3
InChIKeyGAETWUINPAYZKV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.41
Rot. Bonds5

About 1-[2-(methoxymethyl)phenyl]-3-propylpiperazine

1-[2-(methoxymethyl)phenyl]-3-propylpiperazine (PubChem CID 64925936) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)phenyl]-3-propylpiperazine.

Molecular Properties

Compound Name1-[2-(methoxymethyl)phenyl]-3-propylpiperazine
PubChem CID64925936
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-(methoxymethyl)phenyl]-3-propylpiperazine
SMILESCCCC1CN(c2ccccc2COC)CCN1
InChIInChI=1S/C15H24N2O/c1-3-6-14-11-17(10-9-16-14)15-8-5-4-7-13(15)12-18-2/h4-5,7-8,14,16H,3,6,9-12H2,1-2H3
InChIKeyGAETWUINPAYZKV-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-propylpiperazine?
The IUPAC name of 1-[2-(methoxymethyl)phenyl]-3-propylpiperazine (CID 64925936) is 1-[2-(methoxymethyl)phenyl]-3-propylpiperazine.
What is the SMILES notation for 1-[2-(methoxymethyl)phenyl]-3-propylpiperazine?
The canonical SMILES for 1-[2-(methoxymethyl)phenyl]-3-propylpiperazine is CCCC1CN(c2ccccc2COC)CCN1.
What is the InChIKey of 1-[2-(methoxymethyl)phenyl]-3-propylpiperazine?
The InChIKey is GAETWUINPAYZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-6-14-11-17(10-9-16-14)15-8-5-4-7-13(15)12-18-2/h4-5,7-8,14,16H,3,6,9-12H2,1-2H3.
What are the key properties of 1-[2-(methoxymethyl)phenyl]-3-propylpiperazine?
1-[2-(methoxymethyl)phenyl]-3-propylpiperazine has a molecular weight of 248.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)phenyl]-3-propylpiperazine is sourced from PubChem (CID 64925936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).