5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine

C17H34N2O2 — CID 103414273

IUPAC5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine
SMILESCCC(C)C1CN(CCCOCCOC)C(C2CC2)CN1
InChIInChI=1S/C17H34N2O2/c1-4-14(2)16-13-19(8-5-9-21-11-10-20-3)17(12-18-16)15-6-7-15/h14-18H,4-13H2,1-3H3
InChIKeyQZSRHQGGQUAUKI-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.14
Rot. Bonds10

About 5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine

5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine (PubChem CID 103414273) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine
PubChem CID103414273
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine
SMILESCCC(C)C1CN(CCCOCCOC)C(C2CC2)CN1
InChIInChI=1S/C17H34N2O2/c1-4-14(2)16-13-19(8-5-9-21-11-10-20-3)17(12-18-16)15-6-7-15/h14-18H,4-13H2,1-3H3
InChIKeyQZSRHQGGQUAUKI-UHFFFAOYSA-N
XLogP2.14
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-butan-2-yl-2-cyclopropyl-1-(2-methylsulfanylethyl)piperazine
CID 113474546
5-butan-2-yl-1-[2-(3-methoxypropoxy)ethyl]-2-methylpiperazine
CID 103184537
2-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-5-(2-methylpropyl)piperazine
CID 64849325
3-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-1,4-diazepane
CID 103414469
1-[3-(2-methoxyethoxy)propyl]-5-propan-2-yl-2-propylpiperazine
CID 103414058
2-butan-2-yl-5-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]piperazine
CID 64861848
5-butan-2-yl-2-cyclopropyl-1-(2-ethylhexyl)piperazine
CID 64847473
2-cyclopropyl-1-(4-methoxybutyl)-5-(2-methylpropyl)piperazine
CID 104650225
2-butan-2-yl-1-[3-(2-methoxyethoxy)propyl]-5-propylpiperazine
CID 103414108
2-butan-2-yl-5-cyclopropyl-1-(3-methoxypropyl)piperazine
CID 64862424
5-butan-2-yl-2-tert-butyl-1-(3-ethoxypropyl)piperazine
CID 65177639
5-butan-2-yl-2-cyclopropyl-1-[2-(oxolan-2-yl)ethyl]piperazine
CID 65170235

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine?
The IUPAC name of 5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine (CID 103414273) is 5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine.
What is the SMILES notation for 5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine?
The canonical SMILES for 5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine is CCC(C)C1CN(CCCOCCOC)C(C2CC2)CN1.
What is the InChIKey of 5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine?
The InChIKey is QZSRHQGGQUAUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-4-14(2)16-13-19(8-5-9-21-11-10-20-3)17(12-18-16)15-6-7-15/h14-18H,4-13H2,1-3H3.
What are the key properties of 5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine?
5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine has a molecular weight of 298.47 g/mol, XLogP of 2.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]piperazine is sourced from PubChem (CID 103414273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).