1-methyl-4-(3-methyl-2-pyridinyl)piperazine

C11H17N3 — CID 46739573

IUPAC1-methyl-4-(3-methyl-2-pyridinyl)piperazine
SMILESCc1cccnc1N1CCN(C)CC1
InChIInChI=1S/C11H17N3/c1-10-4-3-5-12-11(10)14-8-6-13(2)7-9-14/h3-5H,6-9H2,1-2H3
InChIKeyZXHBYUGQYALQNM-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.14
Rot. Bonds1

About 1-methyl-4-(3-methyl-2-pyridinyl)piperazine

1-methyl-4-(3-methyl-2-pyridinyl)piperazine (PubChem CID 46739573) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-methyl-4-(3-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-methyl-2-pyridinyl)piperazine
PubChem CID46739573
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-methyl-4-(3-methyl-2-pyridinyl)piperazine
SMILESCc1cccnc1N1CCN(C)CC1
InChIInChI=1S/C11H17N3/c1-10-4-3-5-12-11(10)14-8-6-13(2)7-9-14/h3-5H,6-9H2,1-2H3
InChIKeyZXHBYUGQYALQNM-UHFFFAOYSA-N
XLogP1.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-methyl-4-(3-methyl-2-pyridinyl)piperazine (CID 46739573) is 1-methyl-4-(3-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-methyl-2-pyridinyl)piperazine is Cc1cccnc1N1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(3-methyl-2-pyridinyl)piperazine?
The InChIKey is ZXHBYUGQYALQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-10-4-3-5-12-11(10)14-8-6-13(2)7-9-14/h3-5H,6-9H2,1-2H3.
What are the key properties of 1-methyl-4-(3-methyl-2-pyridinyl)piperazine?
1-methyl-4-(3-methyl-2-pyridinyl)piperazine has a molecular weight of 191.28 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 46739573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).