1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine

C17H26N2 — CID 66396451

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(CC2Cc3ccccc32)C(C(C)C)CN1
InChIInChI=1S/C17H26N2/c1-12(2)17-9-18-13(3)10-19(17)11-15-8-14-6-4-5-7-16(14)15/h4-7,12-13,15,17-18H,8-11H2,1-3H3
InChIKeyZPGCIBPFRDQVAS-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.64
Rot. Bonds3

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine (PubChem CID 66396451) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine
PubChem CID66396451
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine
SMILESCC1CN(CC2Cc3ccccc32)C(C(C)C)CN1
InChIInChI=1S/C17H26N2/c1-12(2)17-9-18-13(3)10-19(17)11-15-8-14-6-4-5-7-16(14)15/h4-7,12-13,15,17-18H,8-11H2,1-3H3
InChIKeyZPGCIBPFRDQVAS-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine with MolForge

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine
CID 66395287
(2S,5S)-1-benzyl-5-methyl-2-propan-2-ylpiperazine
CID 46705371
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclopropyl-5-propan-2-ylpiperazine
CID 66394704
1-(cyclobutylmethyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937495
1-[(2-methoxyphenyl)methyl]-5-methyl-2-propan-2-ylpiperazine
CID 64846874
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-tert-butyl-5-ethylpiperazine
CID 66396062
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-propan-2-ylpyrrolidin-3-amine
CID 66407796
2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64832346
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
1-(2-fluorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64953891
1-benzyl-2-butan-2-yl-5-methylpiperazine
CID 64845112
1-(2-chlorophenyl)-5-methyl-2-propan-2-ylpiperazine
CID 64937906

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine (CID 66396451) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine is CC1CN(CC2Cc3ccccc32)C(C(C)C)CN1.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine?
The InChIKey is ZPGCIBPFRDQVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-12(2)17-9-18-13(3)10-19(17)11-15-8-14-6-4-5-7-16(14)15/h4-7,12-13,15,17-18H,8-11H2,1-3H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methyl-2-propan-2-ylpiperazine has a molecular weight of 258.41 g/mol, XLogP of 2.64, 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)-5-methyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 66396451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).