1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine

C18H26N4 — CID 23506697

IUPAC1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine
SMILESCc1cc(CCN2CCNCC2)nc(-n2c(C)ccc2C)c1
InChIInChI=1S/C18H26N4/c1-14-12-17(6-9-21-10-7-19-8-11-21)20-18(13-14)22-15(2)4-5-16(22)3/h4-5,12-13,19H,6-11H2,1-3H3
InChIKeyCXUKUKVCPZKXFE-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.25
Rot. Bonds4

About 1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine

1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine (PubChem CID 23506697) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine
PubChem CID23506697
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine
SMILESCc1cc(CCN2CCNCC2)nc(-n2c(C)ccc2C)c1
InChIInChI=1S/C18H26N4/c1-14-12-17(6-9-21-10-7-19-8-11-21)20-18(13-14)22-15(2)4-5-16(22)3/h4-5,12-13,19H,6-11H2,1-3H3
InChIKeyCXUKUKVCPZKXFE-UHFFFAOYSA-N
XLogP2.25
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

4,6-dimethyl-2-(2-piperazin-1-ylethyl)pyrimidine
CID 82472710
1-[2-(5-methyl-2-pyridinyl)ethyl]piperazine
CID 20791668
6-methyl-4-(2-piperazin-1-ylethyl)-1H-pyrimidin-2-one
CID 82473059
2-(2,5-dimethylpyrrol-1-yl)-4-methyl-6-[2-(5-methyl-3-pyridinyl)ethyl]pyridine
CID 130472384
1-[2-(2,4,6-trimethylphenyl)ethyl]piperazine
CID 15391878
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
3-[[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]methyl]oxolane-2,4-diol
CID 91095511
1-[2-(2,3,5-trimethylphenyl)ethyl]piperazine
CID 117337037
1-[2-(5-bromo-1-methylpyrazol-3-yl)ethyl]piperazine
CID 83904098
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-[2-(2-fluoro-3,5-dimethylphenyl)ethyl]piperazine
CID 84798248

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine?
The IUPAC name of 1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine (CID 23506697) is 1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine.
What is the SMILES notation for 1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine?
The canonical SMILES for 1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine is Cc1cc(CCN2CCNCC2)nc(-n2c(C)ccc2C)c1.
What is the InChIKey of 1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine?
The InChIKey is CXUKUKVCPZKXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-14-12-17(6-9-21-10-7-19-8-11-21)20-18(13-14)22-15(2)4-5-16(22)3/h4-5,12-13,19H,6-11H2,1-3H3.
What are the key properties of 1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine?
1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine has a molecular weight of 298.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(2,5-dimethylpyrrol-1-yl)-4-methyl-2-pyridinyl]ethyl]piperazine is sourced from PubChem (CID 23506697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).