(6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine

C13H21N3 — CID 142128671

IUPAC(6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine
SMILESCN1CCN(/C2=N/C=C\C=C/CCC2)CC1
InChIInChI=1S/C13H21N3/c1-15-9-11-16(12-10-15)13-7-5-3-2-4-6-8-14-13/h2,4,6,8H,3,5,7,9-12H2,1H3/b4-2-,8-6-,14-13+
InChIKeyLECJSZLDIPDVIH-RRSRALGNSA-N
MW219.33 g/mol
LogP1.89
Rot. Bonds

About (6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine

(6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine (PubChem CID 142128671) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is (6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine.

Molecular Properties

Compound Name(6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine
PubChem CID142128671
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name(6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine
SMILESCN1CCN(/C2=N/C=C\C=C/CCC2)CC1
InChIInChI=1S/C13H21N3/c1-15-9-11-16(12-10-15)13-7-5-3-2-4-6-8-14-13/h2,4,6,8H,3,5,7,9-12H2,1H3/b4-2-,8-6-,14-13+
InChIKeyLECJSZLDIPDVIH-RRSRALGNSA-N
XLogP1.89
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-2,3,4,4a-tetrahydropyrido[2,3-b]azepine
CID 10397320
2-(Piperidin-1-yl)-3H-azepine
CID 14115561
1-(3,4-Dihydropyridin-2-yl)-4-methylpiperazine
CID 57261291
2-(4-methylpiperazin-1-yl)-3H-azepine
CID 90851137
5-Methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
CID 91415042
(5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
CID 142128652
Ethane;4-methylidene-2-(4-methylpiperazin-1-yl)-3,5-dihydroazepine
CID 142128682
1-(3,4-Dihydropyridin-2-yl)-4-methylpiperazine;ethane
CID 143703282
4-Methylidene-2-(4-methylpiperazin-1-yl)-3,5-dihydroazepine
CID 142128683
5-methyl-2-(4-methylpiperazin-1-yl)-3H-azepine
CID 142941187
1-Butyl-4-(3,4-dihydropyridin-2-yl)piperazine
CID 144415149

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine?
The IUPAC name of (6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine (CID 142128671) is (6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine.
What is the SMILES notation for (6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine?
The canonical SMILES for (6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine is CN1CCN(/C2=N/C=C\C=C/CCC2)CC1.
What is the InChIKey of (6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine?
The InChIKey is LECJSZLDIPDVIH-RRSRALGNSA-N. The full InChI is InChI=1S/C13H21N3/c1-15-9-11-16(12-10-15)13-7-5-3-2-4-6-8-14-13/h2,4,6,8H,3,5,7,9-12H2,1H3/b4-2-,8-6-,14-13+.
What are the key properties of (6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine?
(6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine has a molecular weight of 219.33 g/mol, XLogP of 1.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-2-(4-methylpiperazin-1-yl)-4,5-dihydro-3H-azonine is sourced from PubChem (CID 142128671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).