1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine

C15H24N2O — CID 117111625

IUPAC1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine
SMILESCOC(C)Cc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C15H24N2O/c1-13(18-2)10-14-4-3-5-15(11-14)12-17-8-6-16-7-9-17/h3-5,11,13,16H,6-10,12H2,1-2H3
InChIKeyRTEIEBHDZTXWDQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.67
Rot. Bonds5

About 1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine

1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine (PubChem CID 117111625) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine
PubChem CID117111625
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine
SMILESCOC(C)Cc1cccc(CN2CCNCC2)c1
InChIInChI=1S/C15H24N2O/c1-13(18-2)10-14-4-3-5-15(11-14)12-17-8-6-16-7-9-17/h3-5,11,13,16H,6-10,12H2,1-2H3
InChIKeyRTEIEBHDZTXWDQ-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine (CID 117111625) is 1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine is COC(C)Cc1cccc(CN2CCNCC2)c1.
What is the InChIKey of 1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine?
The InChIKey is RTEIEBHDZTXWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(18-2)10-14-4-3-5-15(11-14)12-17-8-6-16-7-9-17/h3-5,11,13,16H,6-10,12H2,1-2H3.
What are the key properties of 1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine?
1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxypropyl)phenyl]methyl]piperazine is sourced from PubChem (CID 117111625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).