2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine

C17H28N2O — CID 64842547

IUPAC2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine
SMILESCCC1CN(CCCOC)C(Cc2ccccc2)CN1
InChIInChI=1S/C17H28N2O/c1-3-16-14-19(10-7-11-20-2)17(13-18-16)12-15-8-5-4-6-9-15/h4-6,8-9,16-18H,3,7,10-14H2,1-2H3
InChIKeyWBVHHWRPZFYVFW-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.32
Rot. Bonds7

About 2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine

2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine (PubChem CID 64842547) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine.

Molecular Properties

Compound Name2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine
PubChem CID64842547
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine
SMILESCCC1CN(CCCOC)C(Cc2ccccc2)CN1
InChIInChI=1S/C17H28N2O/c1-3-16-14-19(10-7-11-20-2)17(13-18-16)12-15-8-5-4-6-9-15/h4-6,8-9,16-18H,3,7,10-14H2,1-2H3
InChIKeyWBVHHWRPZFYVFW-UHFFFAOYSA-N
XLogP2.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine?
The IUPAC name of 2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine (CID 64842547) is 2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine.
What is the SMILES notation for 2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine?
The canonical SMILES for 2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine is CCC1CN(CCCOC)C(Cc2ccccc2)CN1.
What is the InChIKey of 2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine?
The InChIKey is WBVHHWRPZFYVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-16-14-19(10-7-11-20-2)17(13-18-16)12-15-8-5-4-6-9-15/h4-6,8-9,16-18H,3,7,10-14H2,1-2H3.
What are the key properties of 2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine?
2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine has a molecular weight of 276.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethyl-1-(3-methoxypropyl)piperazine is sourced from PubChem (CID 64842547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).