1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine

C24H26N2O — CID 94036722

IUPAC1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
SMILESc1ccc(-c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C24H26N2O/c1-3-7-21(8-4-1)22-11-13-24(14-12-22)27-20-19-25-15-17-26(18-16-25)23-9-5-2-6-10-23/h1-14H,15-20H2
InChIKeyZZNAMBJCBSFFCE-UHFFFAOYSA-N
MW358.49 g/mol
LogP4.55
Rot. Bonds6

About 1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine

1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine (PubChem CID 94036722) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
PubChem CID94036722
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
SMILESc1ccc(-c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C24H26N2O/c1-3-7-21(8-4-1)22-11-13-24(14-12-22)27-20-19-25-15-17-26(18-16-25)23-9-5-2-6-10-23/h1-14H,15-20H2
InChIKeyZZNAMBJCBSFFCE-UHFFFAOYSA-N
XLogP4.55
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 ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-phenylpiperazin-1-yl)ethoxy]aniline
CID 15573951
1-[2-(4-phenylphenoxy)ethyl]piperidine
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1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]ethanone
CID 39201900
4-[2-(4-phenylpiperazin-1-yl)ethoxy]benzene-1,2-diamine
CID 11404189
1-(2-methoxyethyl)-4-(4-phenylphenyl)piperazine
CID 175772124
1-octadecyl-4-[2-(4-phenylphenoxy)ethyl]piperazine;dihydrochloride
CID 56955425
1-methyl-4-[3-(4-phenylphenoxy)propyl]piperazine;hydrochloride
CID 2995879
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
(2S)-1-[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 12941066
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine?
The IUPAC name of 1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine (CID 94036722) is 1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine?
The canonical SMILES for 1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine is c1ccc(-c2ccc(OCCN3CCN(c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine?
The InChIKey is ZZNAMBJCBSFFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-3-7-21(8-4-1)22-11-13-24(14-12-22)27-20-19-25-15-17-26(18-16-25)23-9-5-2-6-10-23/h1-14H,15-20H2.
What are the key properties of 1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine?
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine has a molecular weight of 358.49 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine is sourced from PubChem (CID 94036722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).