1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine

C15H32N2O — CID 64834120

IUPAC1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine
SMILESCCCCOCCN1CC(C(C)C)NCC1CC
InChIInChI=1S/C15H32N2O/c1-5-7-9-18-10-8-17-12-15(13(3)4)16-11-14(17)6-2/h13-16H,5-12H2,1-4H3
InChIKeyVRQDLWKQSLYNNZ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds8

About 1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine

1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine (PubChem CID 64834120) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine
PubChem CID64834120
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine
SMILESCCCCOCCN1CC(C(C)C)NCC1CC
InChIInChI=1S/C15H32N2O/c1-5-7-9-18-10-8-17-12-15(13(3)4)16-11-14(17)6-2/h13-16H,5-12H2,1-4H3
InChIKeyVRQDLWKQSLYNNZ-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
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

1-(2-butoxyethyl)-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64838649
2-ethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64833921
1-[3-(2-methoxyethoxy)propyl]-5-propan-2-yl-2-propylpiperazine
CID 103414058
1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine
CID 114210392
1-[2-(2-methoxyethoxy)ethyl]-2-(2-methylpropyl)-5-propan-2-ylpiperazine
CID 64840397
2,5-di(propan-2-yl)-1-(3-propoxypropyl)piperazine
CID 82947777
2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 65097314
(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol
CID 82242691
2-ethyl-1-hexan-2-yl-5-propan-2-ylpiperazine
CID 64936630
1-(2-butoxyethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64845683
5-butan-2-yl-2-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 114469740
2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937339

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine (CID 64834120) is 1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine is CCCCOCCN1CC(C(C)C)NCC1CC.
What is the InChIKey of 1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine?
The InChIKey is VRQDLWKQSLYNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-7-9-18-10-8-17-12-15(13(3)4)16-11-14(17)6-2/h13-16H,5-12H2,1-4H3.
What are the key properties of 1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine?
1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 64834120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).