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

C12H19N3 — CID 142941226

IUPAC(5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine
SMILESCC1=C/N=C(/N2CCNCC2)CC/C=C\1
InChIInChI=1S/C12H19N3/c1-11-4-2-3-5-12(14-10-11)15-8-6-13-7-9-15/h2,4,10,13H,3,5-9H2,1H3/b4-2-,11-10-,14-12+
InChIKeyOVFBBVJGEYJVHT-YONHCYNCSA-N
MW205.31 g/mol
LogP1.54
Rot. Bonds

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

(5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine (PubChem CID 142941226) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is (5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine.

Molecular Properties

Compound Name(5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine
PubChem CID142941226
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name(5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine
SMILESCC1=C/N=C(/N2CCNCC2)CC/C=C\1
InChIInChI=1S/C12H19N3/c1-11-4-2-3-5-12(14-10-11)15-8-6-13-7-9-15/h2,4,10,13H,3,5-9H2,1H3/b4-2-,11-10-,14-12+
InChIKeyOVFBBVJGEYJVHT-YONHCYNCSA-N
XLogP1.54
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-5-(piperidin-4-yl)-3H-azepin-2-amine
CID 172418747
3-methyl-2-piperazin-1-yl-3H-azepine
CID 56612312
2-piperazin-1-yl-3H-azepine
CID 57155137
5-Methyl-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
CID 91415042
2-(3-Methylpiperazin-1-yl)-3,4-dihydroazocine
CID 123782633
1-[3,4-Dimethylidene-6-(2-methylprop-1-enyl)-2-pyridinyl]piperazine
CID 126720096
6-ethyl-2-piperazin-1-yl-3H-azepine
CID 132001988
(5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
CID 142128652
2-[(2E,4Z)-2-methylhepta-2,4-dienyl]-4,5-dihydro-1H-imidazole;molecular hydrogen
CID 142160651
2-(3-methylpiperazin-1-yl)-3H-azepine
CID 142940907
6-methyl-2-piperazin-1-yl-3H-azepine
CID 142941257
1-N-ethyl-2-N-methyl-1-N-(5-methyl-3H-azepin-2-yl)propane-1,2-diamine
CID 142941284

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine?
The IUPAC name of (5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine (CID 142941226) is (5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine.
What is the SMILES notation for (5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine?
The canonical SMILES for (5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine is CC1=C/N=C(/N2CCNCC2)CC/C=C\1.
What is the InChIKey of (5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine?
The InChIKey is OVFBBVJGEYJVHT-YONHCYNCSA-N. The full InChI is InChI=1S/C12H19N3/c1-11-4-2-3-5-12(14-10-11)15-8-6-13-7-9-15/h2,4,10,13H,3,5-9H2,1H3/b4-2-,11-10-,14-12+.
What are the key properties of (5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine?
(5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine has a molecular weight of 205.31 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine is sourced from PubChem (CID 142941226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).