1,3-diphenyl-1,4-diazepane

C17H20N2 — CID 64944093

IUPAC1,3-diphenyl-1,4-diazepane
SMILESc1ccc(C2CN(c3ccccc3)CCCN2)cc1
InChIInChI=1S/C17H20N2/c1-3-8-15(9-4-1)17-14-19(13-7-12-18-17)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2
InChIKeyYFTVYPSERQOIQV-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.23
Rot. Bonds2

About 1,3-diphenyl-1,4-diazepane

1,3-diphenyl-1,4-diazepane (PubChem CID 64944093) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,3-diphenyl-1,4-diazepane.

Molecular Properties

Compound Name1,3-diphenyl-1,4-diazepane
PubChem CID64944093
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1,3-diphenyl-1,4-diazepane
SMILESc1ccc(C2CN(c3ccccc3)CCCN2)cc1
InChIInChI=1S/C17H20N2/c1-3-8-15(9-4-1)17-14-19(13-7-12-18-17)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2
InChIKeyYFTVYPSERQOIQV-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylphenyl)-3-phenyl-1,4-diazepane
CID 64944303
1-(3,5-difluorophenyl)-3-phenyl-1,4-diazepane
CID 64943123
1-(1-methylpyrazol-4-yl)-3-phenyl-1,4-diazepane
CID 64943935
1-(2,6-difluorophenyl)-3-phenyl-1,4-diazepane
CID 64944507
1-(3-fluoro-4-methylphenyl)-3-phenyl-1,4-diazepane
CID 64944476
3-(4-chlorophenyl)-1-phenylpiperazine
CID 68577139
(3R)-1-methyl-3-phenyl-1,4-diazepane
CID 94983002
1-(3-iodophenyl)-3-phenylpiperazine
CID 64926086
1-(2,5-dibromophenyl)-3-phenyl-1,4-diazepane
CID 64943420
1-(4-bromo-2-chlorophenyl)-3-phenyl-1,4-diazepane
CID 64944181
1-(2-chloro-6-methylphenyl)-3-phenyl-1,4-diazepane
CID 66254921
1-(5-bromo-2-fluorophenyl)-3-phenyl-1,4-diazepane
CID 64944133

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-1,4-diazepane?
The IUPAC name of 1,3-diphenyl-1,4-diazepane (CID 64944093) is 1,3-diphenyl-1,4-diazepane.
What is the SMILES notation for 1,3-diphenyl-1,4-diazepane?
The canonical SMILES for 1,3-diphenyl-1,4-diazepane is c1ccc(C2CN(c3ccccc3)CCCN2)cc1.
What is the InChIKey of 1,3-diphenyl-1,4-diazepane?
The InChIKey is YFTVYPSERQOIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-3-8-15(9-4-1)17-14-19(13-7-12-18-17)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14H2.
What are the key properties of 1,3-diphenyl-1,4-diazepane?
1,3-diphenyl-1,4-diazepane has a molecular weight of 252.36 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-1,4-diazepane is sourced from PubChem (CID 64944093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).