(5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine

C12H19N3 — CID 142128652

IUPAC(5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
SMILESCN1CCN(/C2=N/C=C\C=C/CC2)CC1
InChIInChI=1S/C12H19N3/c1-14-8-10-15(11-9-14)12-6-4-2-3-5-7-13-12/h2-3,5,7H,4,6,8-11H2,1H3/b3-2-,7-5-,13-12+
InChIKeyNIUALCQUWYSBLG-LJJWUAPVSA-N
MW205.31 g/mol
LogP1.50
Rot. Bonds

About (5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine

(5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine (PubChem CID 142128652) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine.

Molecular Properties

Compound Name(5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
PubChem CID142128652
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
SMILESCN1CCN(/C2=N/C=C\C=C/CC2)CC1
InChIInChI=1S/C12H19N3/c1-14-8-10-15(11-9-14)12-6-4-2-3-5-7-13-12/h2-3,5,7H,4,6,8-11H2,1H3/b3-2-,7-5-,13-12+
InChIKeyNIUALCQUWYSBLG-LJJWUAPVSA-N
XLogP1.50
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine?
The IUPAC name of (5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine (CID 142128652) is (5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine.
What is the SMILES notation for (5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine?
The canonical SMILES for (5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine is CN1CCN(/C2=N/C=C\C=C/CC2)CC1.
What is the InChIKey of (5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine?
The InChIKey is NIUALCQUWYSBLG-LJJWUAPVSA-N. The full InChI is InChI=1S/C12H19N3/c1-14-8-10-15(11-9-14)12-6-4-2-3-5-7-13-12/h2-3,5,7H,4,6,8-11H2,1H3/b3-2-,7-5-,13-12+.
What are the key properties of (5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine?
(5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine has a molecular weight of 205.31 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine is sourced from PubChem (CID 142128652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).