3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine

C13H26N2O — CID 64926000

IUPAC3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine
SMILESCCOCCCN1CCNC(C)(C2CC2)C1
InChIInChI=1S/C13H26N2O/c1-3-16-10-4-8-15-9-7-14-13(2,11-15)12-5-6-12/h12,14H,3-11H2,1-2H3
InChIKeyGAHXVBLQSCGKNB-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds6

About 3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine

3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine (PubChem CID 64926000) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine
PubChem CID64926000
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine
SMILESCCOCCCN1CCNC(C)(C2CC2)C1
InChIInChI=1S/C13H26N2O/c1-3-16-10-4-8-15-9-7-14-13(2,11-15)12-5-6-12/h12,14H,3-11H2,1-2H3
InChIKeyGAHXVBLQSCGKNB-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
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 3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine?
The IUPAC name of 3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine (CID 64926000) is 3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine.
What is the SMILES notation for 3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine?
The canonical SMILES for 3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine is CCOCCCN1CCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine?
The InChIKey is GAHXVBLQSCGKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-16-10-4-8-15-9-7-14-13(2,11-15)12-5-6-12/h12,14H,3-11H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine?
3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-ethoxypropyl)-3-methylpiperazine is sourced from PubChem (CID 64926000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).