1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride

C14H25Cl2N3O — CID 119916634

IUPAC1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride
SMILESCOc1c(C)cnc(CN2CCNCC2C)c1C.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-10-7-16-13(12(3)14(10)18-4)9-17-6-5-15-8-11(17)2;;/h7,11,15H,5-6,8-9H2,1-4H3;2*1H
InChIKeyBUUOIMGLPRWNML-UHFFFAOYSA-N
MW322.28 g/mol
LogP2.34
Rot. Bonds3

About 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride (PubChem CID 119916634) has the molecular formula C14H25Cl2N3O and a molecular weight of 322.28 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride
PubChem CID119916634
Molecular FormulaC14H25Cl2N3O
Molecular Weight322.28 g/mol
Exact Mass321.14
IUPAC Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride
SMILESCOc1c(C)cnc(CN2CCNCC2C)c1C.Cl.Cl
InChIInChI=1S/C14H23N3O.2ClH/c1-10-7-16-13(12(3)14(10)18-4)9-17-6-5-15-8-11(17)2;;/h7,11,15H,5-6,8-9H2,1-4H3;2*1H
InChIKeyBUUOIMGLPRWNML-UHFFFAOYSA-N
XLogP2.34
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride?
The IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride (CID 119916634) is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride is COc1c(C)cnc(CN2CCNCC2C)c1C.Cl.Cl.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride?
The InChIKey is BUUOIMGLPRWNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.2ClH/c1-10-7-16-13(12(3)14(10)18-4)9-17-6-5-15-8-11(17)2;;/h7,11,15H,5-6,8-9H2,1-4H3;2*1H.
What are the key properties of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride?
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride has a molecular weight of 322.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride is sourced from PubChem (CID 119916634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).