1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

C14H30N2O — CID 135279301

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

About 1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine

1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (PubChem CID 135279301) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.

Molecular Properties

Compound Name1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
PubChem CID135279301
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
SMILESCCC(C)N1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-6-13(2)16-9-7-15(8-10-16)11-12-17-14(3,4)5/h13H,6-12H2,1-5H3
InChIKeyDLUMYIKIEURYBI-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

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Related Compounds

1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580
2-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]butan-1-amine
CID 112588468
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-(2-propan-2-yloxyethyl)piperazine
CID 135217006
1-[3-[(2-methylpropan-2-yl)oxy]propyl]-4-propan-2-ylpiperazine
CID 155296815
1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241
2-methyl-3-[4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazin-1-yl]propan-1-amine
CID 112588403
4-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylbutanoic acid
CID 65248291
5-(4-butan-2-ylpiperazin-1-yl)-2,2-dimethylpentan-1-amine
CID 65254432
4-[2-(4-butan-2-ylpiperazin-1-yl)ethoxy]aniline
CID 62774580
4-(4-butan-2-ylpiperazin-1-yl)butan-1-amine
CID 43252810
1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 172511697
1-ethyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 171447106

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The IUPAC name of 1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine (CID 135279301) is 1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine.
What is the SMILES notation for 1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The canonical SMILES for 1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is CCC(C)N1CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
The InChIKey is DLUMYIKIEURYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-13(2)16-9-7-15(8-10-16)11-12-17-14(3,4)5/h13H,6-12H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine?
1-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine 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-butan-2-yl-4-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine is sourced from PubChem (CID 135279301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).