3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine

C15H32N2O — CID 106008742

IUPAC3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine
SMILESCCC1(CC)CN(CCCCOC(C)C)CCN1
InChIInChI=1S/C15H32N2O/c1-5-15(6-2)13-17(11-9-16-15)10-7-8-12-18-14(3)4/h14,16H,5-13H2,1-4H3
InChIKeySUZLLNOUUCPXQO-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.66
Rot. Bonds8

About 3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine

3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine (PubChem CID 106008742) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine.

Molecular Properties

Compound Name3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine
PubChem CID106008742
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine
SMILESCCC1(CC)CN(CCCCOC(C)C)CCN1
InChIInChI=1S/C15H32N2O/c1-5-15(6-2)13-17(11-9-16-15)10-7-8-12-18-14(3)4/h14,16H,5-13H2,1-4H3
InChIKeySUZLLNOUUCPXQO-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.66
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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Related Compounds

3,3-diethyl-1-(7-methyloctyl)piperazine
CID 107818414
3,3-diethyl-1-(4-methylpentyl)piperazine
CID 64953195
3,3-diethyl-1-(3-methylbutyl)piperazine
CID 64833456
1-(6-propan-2-yloxyhexyl)piperazine
CID 148670601
3,3-diethyl-1-(5-methylhexyl)-1,4-diazepane
CID 115327082
3,3-diethyl-1-(4-phenylbutyl)piperazine
CID 114334897
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855
3,3-diethyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
CID 79350271
5-(3-propan-2-yloxypropyl)-5-azaspiro[2.4]heptane
CID 129270208
3,3-diethyl-1-[2-(4-fluorophenyl)ethyl]piperazine
CID 64926173
1-(3-ethoxypropyl)-3-ethyl-3-methylpiperazine
CID 64925802
5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008842

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine?
The IUPAC name of 3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine (CID 106008742) is 3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine.
What is the SMILES notation for 3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine?
The canonical SMILES for 3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine is CCC1(CC)CN(CCCCOC(C)C)CCN1.
What is the InChIKey of 3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine?
The InChIKey is SUZLLNOUUCPXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-15(6-2)13-17(11-9-16-15)10-7-8-12-18-14(3)4/h14,16H,5-13H2,1-4H3.
What are the key properties of 3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine?
3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine has a molecular weight of 256.43 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(4-propan-2-yloxybutyl)piperazine is sourced from PubChem (CID 106008742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).