1-(3-butoxy-4-tert-butylphenyl)piperazine

C18H30N2O — CID 89492946

IUPAC1-(3-butoxy-4-tert-butylphenyl)piperazine
SMILESCCCCOc1cc(N2CCNCC2)ccc1C(C)(C)C
InChIInChI=1S/C18H30N2O/c1-5-6-13-21-17-14-15(20-11-9-19-10-12-20)7-8-16(17)18(2,3)4/h7-8,14,19H,5-6,9-13H2,1-4H3
InChIKeyMWJPRWYDQVKCAB-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.57
Rot. Bonds5

About 1-(3-butoxy-4-tert-butylphenyl)piperazine

1-(3-butoxy-4-tert-butylphenyl)piperazine (PubChem CID 89492946) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(3-butoxy-4-tert-butylphenyl)piperazine.

Molecular Properties

Compound Name1-(3-butoxy-4-tert-butylphenyl)piperazine
PubChem CID89492946
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(3-butoxy-4-tert-butylphenyl)piperazine
SMILESCCCCOc1cc(N2CCNCC2)ccc1C(C)(C)C
InChIInChI=1S/C18H30N2O/c1-5-6-13-21-17-14-15(20-11-9-19-10-12-20)7-8-16(17)18(2,3)4/h7-8,14,19H,5-6,9-13H2,1-4H3
InChIKeyMWJPRWYDQVKCAB-UHFFFAOYSA-N
XLogP3.57
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.57
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-(4-hexoxy-3-methylphenyl)piperazine
CID 63214255
1-(4-tert-butyl-3-ethoxyphenyl)-4-methylpiperazine
CID 90381204
1-(5-butoxy-3-pyridinyl)piperazine
CID 22478494
1-(4-ethoxy-3-methoxyphenyl)piperazine
CID 70276444
1-(2-octoxyphenyl)piperazine
CID 63461603
1-[4-(2-ethoxyethoxy)-3-methylphenyl]piperazine
CID 63214688
1-[3-(2-tert-butylphenoxy)propyl]piperazine
CID 2194690
ethane;1-(4-ethyl-3-methoxyphenyl)piperazine
CID 176935078
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
N,N-diethyl-2-(2-methyl-4-piperazin-1-ylphenoxy)ethanamine
CID 63214431
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
1-[5-(2-tert-butyl-4-methylphenoxy)pentyl]piperazine
CID 5223642

Frequently Asked Questions

What is the IUPAC name of 1-(3-butoxy-4-tert-butylphenyl)piperazine?
The IUPAC name of 1-(3-butoxy-4-tert-butylphenyl)piperazine (CID 89492946) is 1-(3-butoxy-4-tert-butylphenyl)piperazine.
What is the SMILES notation for 1-(3-butoxy-4-tert-butylphenyl)piperazine?
The canonical SMILES for 1-(3-butoxy-4-tert-butylphenyl)piperazine is CCCCOc1cc(N2CCNCC2)ccc1C(C)(C)C.
What is the InChIKey of 1-(3-butoxy-4-tert-butylphenyl)piperazine?
The InChIKey is MWJPRWYDQVKCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-6-13-21-17-14-15(20-11-9-19-10-12-20)7-8-16(17)18(2,3)4/h7-8,14,19H,5-6,9-13H2,1-4H3.
What are the key properties of 1-(3-butoxy-4-tert-butylphenyl)piperazine?
1-(3-butoxy-4-tert-butylphenyl)piperazine has a molecular weight of 290.45 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-butoxy-4-tert-butylphenyl)piperazine is sourced from PubChem (CID 89492946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).