5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine

C15H32N2O — CID 64940687

IUPAC5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1C(CC)COC
InChIInChI=1S/C15H32N2O/c1-7-12-9-16-14(15(3,4)5)10-17(12)13(8-2)11-18-6/h12-14,16H,7-11H2,1-6H3
InChIKeyDJBUBSSXHLOXQK-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds5

About 5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine

5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine (PubChem CID 64940687) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
PubChem CID64940687
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
SMILESCCC1CNC(C(C)(C)C)CN1C(CC)COC
InChIInChI=1S/C15H32N2O/c1-7-12-9-16-14(15(3,4)5)10-17(12)13(8-2)11-18-6/h12-14,16H,7-11H2,1-6H3
InChIKeyDJBUBSSXHLOXQK-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

5-tert-butyl-2-ethyl-1-hex-5-yn-3-ylpiperazine
CID 113478280
5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64936870
5-tert-butyl-2-ethyl-1-(4-methylsulfanylbutan-2-yl)piperazine
CID 113478263
2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64931133
5-tert-butyl-2-ethyl-1-(4-methylpent-1-yn-3-yl)piperazine
CID 114202526
5-tert-butyl-2-ethyl-1-(4-ethylcyclohexyl)piperazine
CID 64948153
5-tert-butyl-2-ethyl-1-(2-methoxycyclopentyl)piperazine
CID 64947348
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
5-tert-butyl-2-ethyl-1-[1-(2-fluorophenyl)ethyl]piperazine
CID 64945887
5-tert-butyl-1-pentan-3-yl-2-phenylpiperazine
CID 64931431
5-tert-butyl-1-(4,4-dimethylcyclohexyl)-2-ethylpiperazine
CID 64941461
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine?
The IUPAC name of 5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine (CID 64940687) is 5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine?
The canonical SMILES for 5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine is CCC1CNC(C(C)(C)C)CN1C(CC)COC.
What is the InChIKey of 5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine?
The InChIKey is DJBUBSSXHLOXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-7-12-9-16-14(15(3,4)5)10-17(12)13(8-2)11-18-6/h12-14,16H,7-11H2,1-6H3.
What are the key properties of 5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine?
5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine is sourced from PubChem (CID 64940687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).