1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine

C19H25N3 — CID 134550465

IUPAC1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine
SMILESCc1cccc(-c2ccc(CN3CCN(C)CC3)c(C)c2)n1
InChIInChI=1S/C19H25N3/c1-15-13-17(19-6-4-5-16(2)20-19)7-8-18(15)14-22-11-9-21(3)10-12-22/h4-8,13H,9-12,14H2,1-3H3
InChIKeyFQSUCWGNNDCGNP-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.11
Rot. Bonds3

About 1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine

1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine (PubChem CID 134550465) has the molecular formula C19H25N3 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine
PubChem CID134550465
Molecular FormulaC19H25N3
Molecular Weight295.43 g/mol
Exact Mass295.20
IUPAC Name1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine
SMILESCc1cccc(-c2ccc(CN3CCN(C)CC3)c(C)c2)n1
InChIInChI=1S/C19H25N3/c1-15-13-17(19-6-4-5-16(2)20-19)7-8-18(15)14-22-11-9-21(3)10-12-22/h4-8,13H,9-12,14H2,1-3H3
InChIKeyFQSUCWGNNDCGNP-UHFFFAOYSA-N
XLogP3.11
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine?
The IUPAC name of 1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine (CID 134550465) is 1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine is Cc1cccc(-c2ccc(CN3CCN(C)CC3)c(C)c2)n1.
What is the InChIKey of 1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine?
The InChIKey is FQSUCWGNNDCGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3/c1-15-13-17(19-6-4-5-16(2)20-19)7-8-18(15)14-22-11-9-21(3)10-12-22/h4-8,13H,9-12,14H2,1-3H3.
What are the key properties of 1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine?
1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine has a molecular weight of 295.43 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[2-methyl-4-(6-methyl-2-pyridinyl)phenyl]methyl]piperazine is sourced from PubChem (CID 134550465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).