2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine

C12H19N3 — CID 123782633

IUPAC2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine
SMILESCC1CN(/C2=N/C=CC=CCC2)CCN1
InChIInChI=1S/C12H19N3/c1-11-10-15(9-8-13-11)12-6-4-2-3-5-7-14-12/h2-3,5,7,11,13H,4,6,8-10H2,1H3/b3-2?,7-5?,14-12+
InChIKeyWSOBLTPSQVWIIP-AHWWHETLSA-N
MW205.31 g/mol
LogP1.54
Rot. Bonds

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

2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine (PubChem CID 123782633) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine.

Molecular Properties

Compound Name2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine
PubChem CID123782633
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine
SMILESCC1CN(/C2=N/C=CC=CCC2)CCN1
InChIInChI=1S/C12H19N3/c1-11-10-15(9-8-13-11)12-6-4-2-3-5-7-14-12/h2-3,5,7,11,13H,4,6,8-10H2,1H3/b3-2?,7-5?,14-12+
InChIKeyWSOBLTPSQVWIIP-AHWWHETLSA-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

3-methyl-2-piperazin-1-yl-3H-azepine
CID 56612312
2-piperazin-1-yl-3H-azepine
CID 57155137
N-[(2Z)-hepta-2,5-dien-2-yl]-N'-piperidin-3-ylpropanimidamide
CID 91561321
6-ethyl-2-piperazin-1-yl-3H-azepine
CID 132001988
2-Piperazin-1-yl-3,4-dihydropyridin-3-amine
CID 141875324
(5Z,7Z)-2-(4-methylpiperazin-1-yl)-3,4-dihydroazocine
CID 142128652
N,N'-dimethyl-N'-(6-methyl-3,4-dihydropyridin-2-yl)ethane-1,2-diamine
CID 142349265
2-(3-methylpiperazin-1-yl)-3H-azepine
CID 142940907
(5Z,7Z)-7-methyl-2-piperazin-1-yl-3,4-dihydroazocine
CID 142941226
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
1,2,3,4,5a,6-Hexahydropyrazino[1,2-a]benzimidazole
CID 177753569

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine?
The IUPAC name of 2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine (CID 123782633) is 2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine.
What is the SMILES notation for 2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine?
The canonical SMILES for 2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine is CC1CN(/C2=N/C=CC=CCC2)CCN1.
What is the InChIKey of 2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine?
The InChIKey is WSOBLTPSQVWIIP-AHWWHETLSA-N. The full InChI is InChI=1S/C12H19N3/c1-11-10-15(9-8-13-11)12-6-4-2-3-5-7-14-12/h2-3,5,7,11,13H,4,6,8-10H2,1H3/b3-2?,7-5?,14-12+.
What are the key properties of 2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine?
2-(3-methylpiperazin-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 2-(3-methylpiperazin-1-yl)-3,4-dihydroazocine is sourced from PubChem (CID 123782633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).