4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine

C13H22N4 — CID 55004739

IUPAC4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine
SMILESCCN1CCC(N(C)c2ccncc2N)CC1
InChIInChI=1S/C13H22N4/c1-3-17-8-5-11(6-9-17)16(2)13-4-7-15-10-12(13)14/h4,7,10-11H,3,5-6,8-9,14H2,1-2H3
InChIKeyBYJVGILZAHKWIG-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.58
Rot. Bonds3

About 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine

4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine (PubChem CID 55004739) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine
PubChem CID55004739
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine
SMILESCCN1CCC(N(C)c2ccncc2N)CC1
InChIInChI=1S/C13H22N4/c1-3-17-8-5-11(6-9-17)16(2)13-4-7-15-10-12(13)14/h4,7,10-11H,3,5-6,8-9,14H2,1-2H3
InChIKeyBYJVGILZAHKWIG-UHFFFAOYSA-N
XLogP1.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine?
The IUPAC name of 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine (CID 55004739) is 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine is CCN1CCC(N(C)c2ccncc2N)CC1.
What is the InChIKey of 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine?
The InChIKey is BYJVGILZAHKWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-17-8-5-11(6-9-17)16(2)13-4-7-15-10-12(13)14/h4,7,10-11H,3,5-6,8-9,14H2,1-2H3.
What are the key properties of 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine?
4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine has a molecular weight of 234.35 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 4-N-(1-ethylpiperidin-4-yl)-4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 55004739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).