6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine

C12H20N4 — CID 80647279

IUPAC6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine
SMILESCN1CCC(CNc2cccc(N)n2)CC1
InChIInChI=1S/C12H20N4/c1-16-7-5-10(6-8-16)9-14-12-4-2-3-11(13)15-12/h2-4,10H,5-9H2,1H3,(H3,13,14,15)
InChIKeyRVFMIMJSGOCCDL-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.42
Rot. Bonds3

About 6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine

6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine (PubChem CID 80647279) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine
PubChem CID80647279
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine
SMILESCN1CCC(CNc2cccc(N)n2)CC1
InChIInChI=1S/C12H20N4/c1-16-7-5-10(6-8-16)9-14-12-4-2-3-11(13)15-12/h2-4,10H,5-9H2,1H3,(H3,13,14,15)
InChIKeyRVFMIMJSGOCCDL-UHFFFAOYSA-N
XLogP1.42
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine?
The IUPAC name of 6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine (CID 80647279) is 6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine is CN1CCC(CNc2cccc(N)n2)CC1.
What is the InChIKey of 6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine?
The InChIKey is RVFMIMJSGOCCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-16-7-5-10(6-8-16)9-14-12-4-2-3-11(13)15-12/h2-4,10H,5-9H2,1H3,(H3,13,14,15).
What are the key properties of 6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine?
6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 80647279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).