1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine

C24H26N2O — CID 1376909

IUPAC1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
SMILESc1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C24H26N2O/c1-3-8-21(9-4-1)19-25-14-16-26(17-15-25)20-22-10-7-13-24(18-22)27-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2
InChIKeyYETFRKTWSJIWAJ-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.80
Rot. Bonds6

About 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine

1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine (PubChem CID 1376909) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
PubChem CID1376909
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
SMILESc1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1
InChIInChI=1S/C24H26N2O/c1-3-8-21(9-4-1)19-25-14-16-26(17-15-25)20-22-10-7-13-24(18-22)27-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2
InChIKeyYETFRKTWSJIWAJ-UHFFFAOYSA-N
XLogP4.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine
CID 175322181
2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 2878469
1-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]-2-phenylethanone
CID 59140034
1-[[3-(4-methylphenoxy)phenyl]methyl]pyrrolidine
CID 90725774
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
[3-[3-(piperidin-1-ylmethyl)phenoxy]phenyl]methanol
CID 68777108
2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 2838087
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-(2,3-dimethylphenyl)-4-[(3-phenoxyphenyl)methyl]piperazine;oxalic acid
CID 163327642
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
4-[[3-(3,5-difluorophenoxy)phenyl]methyl]piperazine-1-carboxylic acid
CID 142760368
(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 7344375

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine?
The IUPAC name of 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine (CID 1376909) is 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine is c1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine?
The InChIKey is YETFRKTWSJIWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-3-8-21(9-4-1)19-25-14-16-26(17-15-25)20-22-10-7-13-24(18-22)27-23-11-5-2-6-12-23/h1-13,18H,14-17,19-20H2.
What are the key properties of 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine?
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine has a molecular weight of 358.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine is sourced from PubChem (CID 1376909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).