1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine

C17H23N3 — CID 156720232

IUPAC1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine
SMILESCC1=CC(CCN2CCN(c3ccccc3)CC2)=NC1
InChIInChI=1S/C17H23N3/c1-15-13-16(18-14-15)7-8-19-9-11-20(12-10-19)17-5-3-2-4-6-17/h2-6,13H,7-12,14H2,1H3
InChIKeyKVRGCVAWVSWQDG-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.60
Rot. Bonds4

About 1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine

1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine (PubChem CID 156720232) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine
PubChem CID156720232
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine
SMILESCC1=CC(CCN2CCN(c3ccccc3)CC2)=NC1
InChIInChI=1S/C17H23N3/c1-15-13-16(18-14-15)7-8-19-9-11-20(12-10-19)17-5-3-2-4-6-17/h2-6,13H,7-12,14H2,1H3
InChIKeyKVRGCVAWVSWQDG-UHFFFAOYSA-N
XLogP2.60
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyrimidin-2-amine
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CID 1375631
1-(4-fluorophenyl)-4-[2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)ethyl]piperazine
CID 15575683
5-methyl-3-[2-[2-(4-phenylpiperazin-1-yl)ethoxy]ethyl]-1,2-oxazole
CID 142389997
4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 91828439
ethane;5-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole
CID 177319242
1-phenyl-4-[2-(5-propyl-1H-1,2,4-triazol-3-yl)ethyl]piperazine
CID 139017912
1-[2-(4-methyl-3-propylphenyl)ethyl]-4-phenylpiperazine
CID 44555266
5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
CID 142390486
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596
ethane;N-[2-(4-phenylpiperazin-1-yl)ethyl]methanimine
CID 91214897
2-methyl-1-[2-(4-phenylpiperazin-1-yl)ethyl]benzo[e]benzimidazole
CID 14072508

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine (CID 156720232) is 1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine is CC1=CC(CCN2CCN(c3ccccc3)CC2)=NC1.
What is the InChIKey of 1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine?
The InChIKey is KVRGCVAWVSWQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-15-13-16(18-14-15)7-8-19-9-11-20(12-10-19)17-5-3-2-4-6-17/h2-6,13H,7-12,14H2,1H3.
What are the key properties of 1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine?
1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine has a molecular weight of 269.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-2H-pyrrol-5-yl)ethyl]-4-phenylpiperazine is sourced from PubChem (CID 156720232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).