1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine

C19H30N2 — CID 66396062

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine
SMILESCCC1CN(CC2Cc3ccccc32)C(C(C)(C)C)CN1
InChIInChI=1S/C19H30N2/c1-5-16-13-21(18(11-20-16)19(2,3)4)12-15-10-14-8-6-7-9-17(14)15/h6-9,15-16,18,20H,5,10-13H2,1-4H3
InChIKeyFNQQOBUCIHZWIF-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.42
Rot. Bonds3

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine (PubChem CID 66396062) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine
PubChem CID66396062
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine
SMILESCCC1CN(CC2Cc3ccccc32)C(C(C)(C)C)CN1
InChIInChI=1S/C19H30N2/c1-5-16-13-21(18(11-20-16)19(2,3)4)12-15-10-14-8-6-7-9-17(14)15/h6-9,15-16,18,20H,5,10-13H2,1-4H3
InChIKeyFNQQOBUCIHZWIF-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-ethyl-1-(2-phenoxyethyl)piperazine
CID 64842922
1-[(4-bromophenyl)methyl]-2-tert-butyl-5-ethylpiperazine
CID 64843504
2-tert-butyl-1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-5-methylpiperazine
CID 79205844
2-tert-butyl-5-ethyl-1-[(3-methyl-2-pyridinyl)methyl]piperazine
CID 115982506
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine
CID 66396451
2-tert-butyl-5-ethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64842153
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine
CID 66395287
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclopropyl-5-propan-2-ylpiperazine
CID 66394704
2-tert-butyl-5-ethyl-1-(2-methylpentyl)piperazine
CID 64841762
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-ethyl-2-methylpiperazine
CID 104772091
5-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66418763
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-diethylpiperazin-1-yl)methanone
CID 66394405

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine (CID 66396062) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine is CCC1CN(CC2Cc3ccccc32)C(C(C)(C)C)CN1.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine?
The InChIKey is FNQQOBUCIHZWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-5-16-13-21(18(11-20-16)19(2,3)4)12-15-10-14-8-6-7-9-17(14)15/h6-9,15-16,18,20H,5,10-13H2,1-4H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine is sourced from PubChem (CID 66396062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).