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

C21H23N3 — CID 10567507

IUPAC1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine
SMILESc1ccc(N2CCN(Cc3ccn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C21H23N3/c1-3-7-20(8-4-1)23-15-13-22(14-16-23)17-19-11-12-24(18-19)21-9-5-2-6-10-21/h1-12,18H,13-17H2
InChIKeyNJUJKEDBUFPIDQ-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.80
Rot. Bonds4

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

1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine (PubChem CID 10567507) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine
PubChem CID10567507
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine
SMILESc1ccc(N2CCN(Cc3ccn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C21H23N3/c1-3-7-20(8-4-1)23-15-13-22(14-16-23)17-19-11-12-24(18-19)21-9-5-2-6-10-21/h1-12,18H,13-17H2
InChIKeyNJUJKEDBUFPIDQ-UHFFFAOYSA-N
XLogP3.80
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11859050
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3-(bromomethyl)-1-phenylpyrrole
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1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129
4-[3-[(4-hydroxypiperidin-1-yl)methyl]pyrrol-1-yl]benzoic acid
CID 69332255
1-(2-phenylethyl)-4-[4-(piperazin-1-ylmethyl)phenyl]piperazine
CID 134565672
1-[(4-methylsulfonylphenyl)methyl]-4-phenylpiperazine
CID 141118596
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-[(1-phenylpyrrol-3-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 10597114
3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
CID 3846774

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine?
The IUPAC name of 1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine (CID 10567507) is 1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine?
The canonical SMILES for 1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine is c1ccc(N2CCN(Cc3ccn(-c4ccccc4)c3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine?
The InChIKey is NJUJKEDBUFPIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-3-7-20(8-4-1)23-15-13-22(14-16-23)17-19-11-12-24(18-19)21-9-5-2-6-10-21/h1-12,18H,13-17H2.
What are the key properties of 1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine?
1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine has a molecular weight of 317.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(1-phenylpyrrol-3-yl)methyl]piperazine is sourced from PubChem (CID 10567507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).