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

C19H28N2 — CID 66395287

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1CC1Cc2ccccc21
InChIInChI=1S/C19H28N2/c1-13(2)19-10-20-18(14-7-8-14)12-21(19)11-16-9-15-5-3-4-6-17(15)16/h3-6,13-14,16,18-20H,7-12H2,1-2H3
InChIKeyTVXUKXINCLVEPQ-UHFFFAOYSA-N
MW284.45 g/mol
LogP3.03
Rot. Bonds4

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

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine (PubChem CID 66395287) 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)-5-cyclopropyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine
PubChem CID66395287
Molecular FormulaC19H28N2
Molecular Weight284.45 g/mol
Exact Mass284.23
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine
SMILESCC(C)C1CNC(C2CC2)CN1CC1Cc2ccccc21
InChIInChI=1S/C19H28N2/c1-13(2)19-10-20-18(14-7-8-14)12-21(19)11-16-9-15-5-3-4-6-17(15)16/h3-6,13-14,16,18-20H,7-12H2,1-2H3
InChIKeyTVXUKXINCLVEPQ-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine (CID 66395287) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine is CC(C)C1CNC(C2CC2)CN1CC1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine?
The InChIKey is TVXUKXINCLVEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2/c1-13(2)19-10-20-18(14-7-8-14)12-21(19)11-16-9-15-5-3-4-6-17(15)16/h3-6,13-14,16,18-20H,7-12H2,1-2H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-cyclopropyl-2-propan-2-ylpiperazine has a molecular weight of 284.45 g/mol, XLogP of 3.03, 4 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-cyclopropyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 66395287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).