1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine

C14H23N3O — CID 82893576

IUPAC1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine
SMILESCOc1cc(C)nc(CN2CC(C)NC(C)C2)c1
InChIInChI=1S/C14H23N3O/c1-10-5-14(18-4)6-13(16-10)9-17-7-11(2)15-12(3)8-17/h5-6,11-12,15H,7-9H2,1-4H3
InChIKeyNEKKISLGMGJKGR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.58
Rot. Bonds3

About 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine

1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine (PubChem CID 82893576) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine
PubChem CID82893576
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine
SMILESCOc1cc(C)nc(CN2CC(C)NC(C)C2)c1
InChIInChI=1S/C14H23N3O/c1-10-5-14(18-4)6-13(16-10)9-17-7-11(2)15-12(3)8-17/h5-6,11-12,15H,7-9H2,1-4H3
InChIKeyNEKKISLGMGJKGR-UHFFFAOYSA-N
XLogP1.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine (CID 82893576) is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine is COc1cc(C)nc(CN2CC(C)NC(C)C2)c1.
What is the InChIKey of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine?
The InChIKey is NEKKISLGMGJKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-5-14(18-4)6-13(16-10)9-17-7-11(2)15-12(3)8-17/h5-6,11-12,15H,7-9H2,1-4H3.
What are the key properties of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine?
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine has a molecular weight of 249.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 82893576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).