1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine

C25H26N2O — CID 13065386

IUPAC1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine
SMILESCN1CCN(C2c3ccccc3COc3c(-c4ccccc4)cccc32)CC1
InChIInChI=1S/C25H26N2O/c1-26-14-16-27(17-15-26)24-21-11-6-5-10-20(21)18-28-25-22(12-7-13-23(24)25)19-8-3-2-4-9-19/h2-13,24H,14-18H2,1H3
InChIKeySBOLQUWQXXZWSX-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.58
Rot. Bonds2

About 1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine

1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine (PubChem CID 13065386) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine
PubChem CID13065386
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine
SMILESCN1CCN(C2c3ccccc3COc3c(-c4ccccc4)cccc32)CC1
InChIInChI=1S/C25H26N2O/c1-26-14-16-27(17-15-26)24-21-11-6-5-10-20(21)18-28-25-22(12-7-13-23(24)25)19-8-3-2-4-9-19/h2-13,24H,14-18H2,1H3
InChIKeySBOLQUWQXXZWSX-UHFFFAOYSA-N
XLogP4.58
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine?
The IUPAC name of 1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine (CID 13065386) is 1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine.
What is the SMILES notation for 1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine?
The canonical SMILES for 1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine is CN1CCN(C2c3ccccc3COc3c(-c4ccccc4)cccc32)CC1.
What is the InChIKey of 1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine?
The InChIKey is SBOLQUWQXXZWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-26-14-16-27(17-15-26)24-21-11-6-5-10-20(21)18-28-25-22(12-7-13-23(24)25)19-8-3-2-4-9-19/h2-13,24H,14-18H2,1H3.
What are the key properties of 1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine?
1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine has a molecular weight of 370.50 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-phenyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)piperazine is sourced from PubChem (CID 13065386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).