1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine

C19H28N2 — CID 66396255

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine
SMILESc1ccc2c(c1)CC2CN1CCNCC1C1CCCCC1
InChIInChI=1S/C19H28N2/c1-2-6-15(7-3-1)19-13-20-10-11-21(19)14-17-12-16-8-4-5-9-18(16)17/h4-5,8-9,15,17,19-20H,1-3,6-7,10-14H2
InChIKeyKCMWAYNBIBFAGU-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.18
Rot. Bonds3

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

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine (PubChem CID 66396255) has the molecular formula C19H28N2 and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine
PubChem CID66396255
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine
SMILESc1ccc2c(c1)CC2CN1CCNCC1C1CCCCC1
InChIInChI=1S/C19H28N2/c1-2-6-15(7-3-1)19-13-20-10-11-21(19)14-17-12-16-8-4-5-9-18(16)17/h4-5,8-9,15,17,19-20H,1-3,6-7,10-14H2
InChIKeyKCMWAYNBIBFAGU-UHFFFAOYSA-N
XLogP3.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(bromomethyl)azepane
CID 116638369
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclopropyl-5-propan-2-ylpiperazine
CID 66394704
2-[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]cyclopentan-1-one
CID 79536535
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol
CID 66395265
2-cyclohexyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64845060
2-propan-2-yl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)piperazine
CID 64832346
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-methyl-1,5-diazocane
CID 66408448
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-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 82752757
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 66470104
2-cyclohexyl-1-(2-ethylsulfonylethyl)piperazine
CID 106732784
1-[(E)-but-2-enyl]-2-cyclohexylpiperazine
CID 107897882

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine (CID 66396255) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine is c1ccc2c(c1)CC2CN1CCNCC1C1CCCCC1.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine?
The InChIKey is KCMWAYNBIBFAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-2-6-15(7-3-1)19-13-20-10-11-21(19)14-17-12-16-8-4-5-9-18(16)17/h4-5,8-9,15,17,19-20H,1-3,6-7,10-14H2.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-cyclohexylpiperazine has a molecular weight of 284.45 g/mol, XLogP of 3.18, 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-cyclohexylpiperazine is sourced from PubChem (CID 66396255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).