2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine

C13H21N3 — CID 114702065

IUPAC2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
SMILESCc1cnccc1CN1CC(C)NCC1C
InChIInChI=1S/C13H21N3/c1-10-6-14-5-4-13(10)9-16-8-11(2)15-7-12(16)3/h4-6,11-12,15H,7-9H2,1-3H3
InChIKeyWPRLAEXKHJDOCQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.57
Rot. Bonds2

About 2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine

2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine (PubChem CID 114702065) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
PubChem CID114702065
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine
SMILESCc1cnccc1CN1CC(C)NCC1C
InChIInChI=1S/C13H21N3/c1-10-6-14-5-4-13(10)9-16-8-11(2)15-7-12(16)3/h4-6,11-12,15H,7-9H2,1-3H3
InChIKeyWPRLAEXKHJDOCQ-UHFFFAOYSA-N
XLogP1.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine?
The IUPAC name of 2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine (CID 114702065) is 2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine?
The canonical SMILES for 2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine is Cc1cnccc1CN1CC(C)NCC1C.
What is the InChIKey of 2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine?
The InChIKey is WPRLAEXKHJDOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-6-14-5-4-13(10)9-16-8-11(2)15-7-12(16)3/h4-6,11-12,15H,7-9H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine?
2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine has a molecular weight of 219.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]piperazine is sourced from PubChem (CID 114702065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).