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

C11H17N3 — CID 5116563

IUPAC1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccc(CN2CCNCC2)n1
InChIInChI=1S/C11H17N3/c1-10-3-2-4-11(13-10)9-14-7-5-12-6-8-14/h2-4,12H,5-9H2,1H3
InChIKeyQAQSWCKYRYGATB-UHFFFAOYSA-N
MW191.28 g/mol
LogP0.80
Rot. Bonds2

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

1-[(6-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 5116563) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]piperazine
PubChem CID5116563
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]piperazine
SMILESCc1cccc(CN2CCNCC2)n1
InChIInChI=1S/C11H17N3/c1-10-3-2-4-11(13-10)9-14-7-5-12-6-8-14/h2-4,12H,5-9H2,1H3
InChIKeyQAQSWCKYRYGATB-UHFFFAOYSA-N
XLogP0.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]piperazine (CID 5116563) is 1-[(6-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]piperazine is Cc1cccc(CN2CCNCC2)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is QAQSWCKYRYGATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-10-3-2-4-11(13-10)9-14-7-5-12-6-8-14/h2-4,12H,5-9H2,1H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]piperazine?
1-[(6-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 191.28 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 5116563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).