1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine

C15H26N4 — CID 80635594

IUPAC1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCCN1CCN(c2ncc(CNC)cc2C)CC1C
InChIInChI=1S/C15H26N4/c1-5-18-6-7-19(11-13(18)3)15-12(2)8-14(9-16-4)10-17-15/h8,10,13,16H,5-7,9,11H2,1-4H3
InChIKeyBRNUPHBDFXENDU-UHFFFAOYSA-N
MW262.40 g/mol
LogP1.64
Rot. Bonds4

About 1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine

1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine (PubChem CID 80635594) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
PubChem CID80635594
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine
SMILESCCN1CCN(c2ncc(CNC)cc2C)CC1C
InChIInChI=1S/C15H26N4/c1-5-18-6-7-19(11-13(18)3)15-12(2)8-14(9-16-4)10-17-15/h8,10,13,16H,5-7,9,11H2,1-4H3
InChIKeyBRNUPHBDFXENDU-UHFFFAOYSA-N
XLogP1.64
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine (CID 80635594) is 1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine is CCN1CCN(c2ncc(CNC)cc2C)CC1C.
What is the InChIKey of 1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
The InChIKey is BRNUPHBDFXENDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-5-18-6-7-19(11-13(18)3)15-12(2)8-14(9-16-4)10-17-15/h8,10,13,16H,5-7,9,11H2,1-4H3.
What are the key properties of 1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine?
1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine has a molecular weight of 262.40 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethyl-3-methylpiperazin-1-yl)-5-methyl-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 80635594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).