1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine

C23H28N4O2 — CID 30746046

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
SMILESCOc1ccc(OCCN2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-28-22-7-9-23(10-8-22)29-18-17-25-13-15-26(16-14-25)19-20-3-5-21(6-4-20)27-12-2-11-24-27/h2-12H,13-19H2,1H3
InChIKeyWIPHRPFQMVGHLE-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.08
Rot. Bonds8

About 1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine

1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine (PubChem CID 30746046) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
PubChem CID30746046
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
SMILESCOc1ccc(OCCN2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1
InChIInChI=1S/C23H28N4O2/c1-28-22-7-9-23(10-8-22)29-18-17-25-13-15-26(16-14-25)19-20-3-5-21(6-4-20)27-12-2-11-24-27/h2-12H,13-19H2,1H3
InChIKeyWIPHRPFQMVGHLE-UHFFFAOYSA-N
XLogP3.08
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-ethoxyphenyl)methyl]-4-[2-(4-methoxyphenoxy)ethyl]piperazine
CID 141313696
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 9398842
4-[[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methyl]benzamide
CID 30737845
1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
CID 155537825
1-(2-methylphenyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine
CID 17496707
4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2738459
1-[1-[2-(4-methoxyphenoxy)ethyl]azetidin-3-yl]pyrazole
CID 56781209
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-(4-hexoxyphenyl)pyrazole
CID 67650161
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
2-[2-(4-pyrazol-1-ylphenoxy)ethyl]-1,2-thiazolidine 1,1-dioxide
CID 97127127
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine (CID 30746046) is 1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine is COc1ccc(OCCN2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine?
The InChIKey is WIPHRPFQMVGHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-28-22-7-9-23(10-8-22)29-18-17-25-13-15-26(16-14-25)19-20-3-5-21(6-4-20)27-12-2-11-24-27/h2-12H,13-19H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine?
1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine has a molecular weight of 392.50 g/mol, XLogP of 3.08, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazine is sourced from PubChem (CID 30746046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).