1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine

C20H22N4 — CID 10519608

IUPAC1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine
SMILESc1ccc(CN2CCN(c3ncccc3-n3cccc3)CC2)cc1
InChIInChI=1S/C20H22N4/c1-2-7-18(8-3-1)17-22-13-15-24(16-14-22)20-19(9-6-10-21-20)23-11-4-5-12-23/h1-12H,13-17H2
InChIKeyFMWXWOAWFBYPCO-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.19
Rot. Bonds4

About 1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine

1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine (PubChem CID 10519608) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine
PubChem CID10519608
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine
SMILESc1ccc(CN2CCN(c3ncccc3-n3cccc3)CC2)cc1
InChIInChI=1S/C20H22N4/c1-2-7-18(8-3-1)17-22-13-15-24(16-14-22)20-19(9-6-10-21-20)23-11-4-5-12-23/h1-12H,13-17H2
InChIKeyFMWXWOAWFBYPCO-UHFFFAOYSA-N
XLogP3.19
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine?
The IUPAC name of 1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine (CID 10519608) is 1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine?
The canonical SMILES for 1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine is c1ccc(CN2CCN(c3ncccc3-n3cccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine?
The InChIKey is FMWXWOAWFBYPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-2-7-18(8-3-1)17-22-13-15-24(16-14-22)20-19(9-6-10-21-20)23-11-4-5-12-23/h1-12H,13-17H2.
What are the key properties of 1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine?
1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine has a molecular weight of 318.42 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-pyrrol-1-yl-2-pyridinyl)piperazine is sourced from PubChem (CID 10519608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).