5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine

C13H22N4 — CID 63633712

IUPAC5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCCN1CCN(Cc2ccc(N)nc2)CC1C
InChIInChI=1S/C13H22N4/c1-3-17-7-6-16(9-11(17)2)10-12-4-5-13(14)15-8-12/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H2,14,15)
InChIKeyVHPNLAGAIUTOBG-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.19
Rot. Bonds3

About 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine

5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine (PubChem CID 63633712) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
PubChem CID63633712
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine
SMILESCCN1CCN(Cc2ccc(N)nc2)CC1C
InChIInChI=1S/C13H22N4/c1-3-17-7-6-16(9-11(17)2)10-12-4-5-13(14)15-8-12/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H2,14,15)
InChIKeyVHPNLAGAIUTOBG-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine (CID 63633712) is 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine is CCN1CCN(Cc2ccc(N)nc2)CC1C.
What is the InChIKey of 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine?
The InChIKey is VHPNLAGAIUTOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-17-7-6-16(9-11(17)2)10-12-4-5-13(14)15-8-12/h4-5,8,11H,3,6-7,9-10H2,1-2H3,(H2,14,15).
What are the key properties of 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine?
5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine has a molecular weight of 234.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethyl-3-methylpiperazin-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 63633712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).