5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine

C15H28N2O — CID 114097818

IUPAC5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine
SMILESCC1CNC(C)(C2CC2)CN1CCOCC1CC1
InChIInChI=1S/C15H28N2O/c1-12-9-16-15(2,14-5-6-14)11-17(12)7-8-18-10-13-3-4-13/h12-14,16H,3-11H2,1-2H3
InChIKeyXXFXCWKVNYSUAM-UHFFFAOYSA-N
MW252.40 g/mol
LogP1.88
Rot. Bonds6

About 5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine

5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine (PubChem CID 114097818) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine
PubChem CID114097818
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine
SMILESCC1CNC(C)(C2CC2)CN1CCOCC1CC1
InChIInChI=1S/C15H28N2O/c1-12-9-16-15(2,14-5-6-14)11-17(12)7-8-18-10-13-3-4-13/h12-14,16H,3-11H2,1-2H3
InChIKeyXXFXCWKVNYSUAM-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 51.88
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 5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine?
The IUPAC name of 5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine (CID 114097818) is 5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine is CC1CNC(C)(C2CC2)CN1CCOCC1CC1.
What is the InChIKey of 5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine?
The InChIKey is XXFXCWKVNYSUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-9-16-15(2,14-5-6-14)11-17(12)7-8-18-10-13-3-4-13/h12-14,16H,3-11H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine?
5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine has a molecular weight of 252.40 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[2-(cyclopropylmethoxy)ethyl]-2,5-dimethylpiperazine is sourced from PubChem (CID 114097818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).