1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine

C14H30N2O — CID 155296815

IUPAC1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCCOC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)16-10-8-15(9-11-16)7-6-12-17-14(3,4)5/h13H,6-12H2,1-5H3
InChIKeyJQZSBTPNOLASCS-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.22
Rot. Bonds5

About 1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine

1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine (PubChem CID 155296815) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
PubChem CID155296815
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCCOC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)16-10-8-15(9-11-16)7-6-12-17-14(3,4)5/h13H,6-12H2,1-5H3
InChIKeyJQZSBTPNOLASCS-UHFFFAOYSA-N
XLogP2.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 171447106
1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 135279301
1-[4-[(2-methylpropan-2-yl)oxy]butyl]pyrrolidine
CID 89027797
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
1-(4,4-dimethylpentyl)-4-[5-[(2-methylpropan-2-yl)oxy]pentyl]piperazine
CID 134488975
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
1-pent-4-ynyl-4-propan-2-ylpiperazine
CID 90177034
1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine;1-[4-[2,2-difluoro-3-[(2-methylpropan-2-yl)oxy]propoxy]butyl]-4-propan-2-ylpiperazine;N-[2,2-difluoro-3-[4-(4-propan-2-ylpiperazin-1-yl)butoxy]propyl]-2-methylpropan-2-amine;methane
CID 161041483
3-methyl-3-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]butan-1-ol
CID 178049851
1-(7-methyloctyl)-4-propan-2-ylpiperazine
CID 168753861
5-(4-propan-2-ylpiperazin-1-yl)pentan-1-ol
CID 22218549
1-(5-chloropentyl)-4-propan-2-ylpiperazine
CID 61288760

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine (CID 155296815) is 1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(CCCOC(C)(C)C)CC1.
What is the InChIKey of 1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine?
The InChIKey is JQZSBTPNOLASCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2)16-10-8-15(9-11-16)7-6-12-17-14(3,4)5/h13H,6-12H2,1-5H3.
What are the key properties of 1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine?
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine has a molecular weight of 242.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 155296815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).