5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine

C18H38N2O — CID 106008736

IUPAC5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
SMILESCC(C)OCCCCN1CC(C(C)(C)C)NCC1C(C)C
InChIInChI=1S/C18H38N2O/c1-14(2)16-12-19-17(18(5,6)7)13-20(16)10-8-9-11-21-15(3)4/h14-17,19H,8-13H2,1-7H3
InChIKeyXVZOOMHGBYFJFT-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.54
Rot. Bonds7

About 5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine

5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine (PubChem CID 106008736) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
PubChem CID106008736
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
SMILESCC(C)OCCCCN1CC(C(C)(C)C)NCC1C(C)C
InChIInChI=1S/C18H38N2O/c1-14(2)16-12-19-17(18(5,6)7)13-20(16)10-8-9-11-21-15(3)4/h14-17,19H,8-13H2,1-7H3
InChIKeyXVZOOMHGBYFJFT-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.54
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

5-ethyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008717
4-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946962
1-(2-butoxyethyl)-5-tert-butyl-2-propan-2-ylpiperazine
CID 64842412
5-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]-2-propan-2-ylpiperazine
CID 103184526
5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
2-butan-2-yl-5-tert-butyl-1-propylpiperazine
CID 64841066
5-tert-butyl-2-propan-2-yl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 106294168
2-butan-2-yl-5-tert-butyl-1-(2-fluoroethyl)piperazine
CID 80697870
2-methyl-5-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008768
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]-2-propan-2-ylpiperazine
CID 64947681
5-ethyl-5-methyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008842
3-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-5-methyl-1,2,4-oxadiazole
CID 106421430

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine?
The IUPAC name of 5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine (CID 106008736) is 5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine is CC(C)OCCCCN1CC(C(C)(C)C)NCC1C(C)C.
What is the InChIKey of 5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine?
The InChIKey is XVZOOMHGBYFJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-14(2)16-12-19-17(18(5,6)7)13-20(16)10-8-9-11-21-15(3)4/h14-17,19H,8-13H2,1-7H3.
What are the key properties of 5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine?
5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine has a molecular weight of 298.51 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine is sourced from PubChem (CID 106008736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).