1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine

C22H25N3O — CID 10450375

IUPAC1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccn(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3
InChIKeyUPXJKNQVKALXKP-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.81
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine

1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine (PubChem CID 10450375) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine
PubChem CID10450375
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccn(-c3ccccc3)c2)CC1
InChIInChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3
InChIKeyUPXJKNQVKALXKP-UHFFFAOYSA-N
XLogP3.81
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Diethyl-2-(2-(2-methyl-5-phenyl-1H-pyrrol-1-yl)phenoxy)ethanamine
CID 26377
1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-methoxy-phenyl)-piperazine
CID 13900359
1-(2-Methoxy-phenyl)-4-(5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 14198545
1-(2-methoxyphenyl)-4-((1-phenyl-1H-pyrazol-4-yl)methyl)piperazine
CID 17449900
Leiopyrole hydrochloride
CID 26376
1-(2-Ethoxyphenyl)-4-(3-pyridinylmethyl)piperazine
CID 792584
1-(2-Methoxy-phenyl)-4-(1-methyl-5-phenyl-1H-pyrrol-2-ylmethyl)-piperazine
CID 44364142
N-cyano-N'-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 56971026
N-cyano-N'-[3-[4-(2-(111C)methoxyphenyl)piperazin-1-yl]propyl]pyridine-2-carboximidamide
CID 168271101
2-methoxy-5-(2-methyl-5-phenyl-1H-pyrrol-1-yl)pyridine
CID 742245
(6-Phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) 4-methylpiperazine-1-carboxylate
CID 9952887
3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 10451368

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine (CID 10450375) is 1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine is COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3)c2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine?
The InChIKey is UPXJKNQVKALXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-26-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-11-12-25(18-19)20-7-3-2-4-8-20/h2-12,18H,13-17H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine?
1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine has a molecular weight of 347.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[(1-phenylpyrrol-3-yl)methyl]piperazine is sourced from PubChem (CID 10450375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).