4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine

C13H22N4 — CID 79176691

IUPAC4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
SMILESCc1cc(NCC2CCN(C)CC2)ncc1N
InChIInChI=1S/C13H22N4/c1-10-7-13(16-9-12(10)14)15-8-11-3-5-17(2)6-4-11/h7,9,11H,3-6,8,14H2,1-2H3,(H,15,16)
InChIKeyFUSXSEJHMQONDK-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.73
Rot. Bonds3

About 4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine

4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine (PubChem CID 79176691) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
PubChem CID79176691
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
SMILESCc1cc(NCC2CCN(C)CC2)ncc1N
InChIInChI=1S/C13H22N4/c1-10-7-13(16-9-12(10)14)15-8-11-3-5-17(2)6-4-11/h7,9,11H,3-6,8,14H2,1-2H3,(H,15,16)
InChIKeyFUSXSEJHMQONDK-UHFFFAOYSA-N
XLogP1.73
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine (CID 79176691) is 4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine is Cc1cc(NCC2CCN(C)CC2)ncc1N.
What is the InChIKey of 4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine?
The InChIKey is FUSXSEJHMQONDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-10-7-13(16-9-12(10)14)15-8-11-3-5-17(2)6-4-11/h7,9,11H,3-6,8,14H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine?
4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine has a molecular weight of 234.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 79176691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).