1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine

C26H30N2O2 — CID 155537825

IUPAC1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
SMILESCOc1ccc(OCCc2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C26H30N2O2/c1-29-25-11-13-26(14-12-25)30-20-15-22-7-9-23(10-8-22)21-27-16-18-28(19-17-27)24-5-3-2-4-6-24/h2-14H,15-21H2,1H3
InChIKeyYWRFKCLHCQWMHM-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.64
Rot. Bonds8

About 1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine

1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine (PubChem CID 155537825) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
PubChem CID155537825
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
SMILESCOc1ccc(OCCc2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C26H30N2O2/c1-29-25-11-13-26(14-12-25)30-20-15-22-7-9-23(10-8-22)21-27-16-18-28(19-17-27)24-5-3-2-4-6-24/h2-14H,15-21H2,1H3
InChIKeyYWRFKCLHCQWMHM-UHFFFAOYSA-N
XLogP4.64
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
3-[4-[[4-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]piperazin-1-yl]prop-2-enal
CID 123968146
N,N-dimethyl-2-[4-[(4-phenyl-1,4-diazepan-1-yl)methyl]phenoxy]ethanamine
CID 131943317
1-[[4-(2-phenylethoxy)phenyl]methyl]piperidine
CID 15952241
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
CID 28800345
(4-benzylpiperazin-1-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 108989482
1-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-4-phenylpiperazine
CID 10788071
2-[4-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]phenyl]acetic acid;dihydrochloride
CID 139735158
1-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,4-diazepane
CID 55830862
3-[4-[[4-(2-phenylethoxy)phenyl]methyl]piperazin-1-yl]propanenitrile
CID 54856483
1-[(4-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine
CID 791315

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine (CID 155537825) is 1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine is COc1ccc(OCCc2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine?
The InChIKey is YWRFKCLHCQWMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-29-25-11-13-26(14-12-25)30-20-15-22-7-9-23(10-8-22)21-27-16-18-28(19-17-27)24-5-3-2-4-6-24/h2-14H,15-21H2,1H3.
What are the key properties of 1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine?
1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine has a molecular weight of 402.54 g/mol, XLogP of 4.64, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 155537825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).