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

C24H26N2O2 — CID 3878375

IUPAC1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2cccc(Oc3ccccc3)c2)N2CCNCC2)cc1
InChIInChI=1S/C24H26N2O2/c1-27-21-12-10-19(11-13-21)24(26-16-14-25-15-17-26)20-6-5-9-23(18-20)28-22-7-3-2-4-8-22/h2-13,18,24-25H,14-17H2,1H3
InChIKeyFCWWNIQBZBUVDH-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.48
Rot. Bonds6

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

1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine (PubChem CID 3878375) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
PubChem CID3878375
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(c2cccc(Oc3ccccc3)c2)N2CCNCC2)cc1
InChIInChI=1S/C24H26N2O2/c1-27-21-12-10-19(11-13-21)24(26-16-14-25-15-17-26)20-6-5-9-23(18-20)28-22-7-3-2-4-8-22/h2-13,18,24-25H,14-17H2,1H3
InChIKeyFCWWNIQBZBUVDH-UHFFFAOYSA-N
XLogP4.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(4-methoxyphenyl)-phenylmethyl]-1,4-diazepane
CID 3838263
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
CID 3836641
1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane
CID 3745740
1-[(3-phenoxyphenyl)-pyridin-3-ylmethyl]piperazine
CID 4209261
1-[(3,4-dimethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3766847
1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]piperazine
CID 3909785
1-[(4-methoxyphenyl)-(4-propan-2-ylphenyl)methyl]piperazine
CID 3987731
1-[(4-methoxyphenyl)-(4-phenylmethoxyphenyl)methyl]piperazine
CID 3763712
1-[(2,4-dichlorophenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3597593
1-[(3-phenoxyphenyl)-thiophen-3-ylmethyl]-1,4-diazepane
CID 3848563

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine (CID 3878375) is 1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine is COc1ccc(C(c2cccc(Oc3ccccc3)c2)N2CCNCC2)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine?
The InChIKey is FCWWNIQBZBUVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-27-21-12-10-19(11-13-21)24(26-16-14-25-15-17-26)20-6-5-9-23(18-20)28-22-7-3-2-4-8-22/h2-13,18,24-25H,14-17H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine?
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine has a molecular weight of 374.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3878375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).