2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine

C14H23N3 — CID 123879104

IUPAC2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine
SMILESCC1=C/C(N2CCN(C)CC2)=N\C(C)=CCC1
InChIInChI=1S/C14H23N3/c1-12-5-4-6-13(2)15-14(11-12)17-9-7-16(3)8-10-17/h6,11H,4-5,7-10H2,1-3H3/b12-11?,13-6?,15-14+
InChIKeyGAMMEVFNESNBLW-NKBXKWMCSA-N
MW233.36 g/mol
LogP2.28
Rot. Bonds

About 2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine

2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine (PubChem CID 123879104) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine.

Molecular Properties

Compound Name2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine
PubChem CID123879104
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine
SMILESCC1=C/C(N2CCN(C)CC2)=N\C(C)=CCC1
InChIInChI=1S/C14H23N3/c1-12-5-4-6-13(2)15-14(11-12)17-9-7-16(3)8-10-17/h6,11H,4-5,7-10H2,1-3H3/b12-11?,13-6?,15-14+
InChIKeyGAMMEVFNESNBLW-NKBXKWMCSA-N
XLogP2.28
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-7-(4-methylpiperazin-1-yl)-4H-azepine
CID 90725962
(2Z,6E)-2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine
CID 144250582
(Z)-1-(4-ethylpiperazin-1-yl)-N,3-dimethylpent-2-en-1-imine
CID 145657795
(Z)-N,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)pent-2-en-1-imine
CID 145657944
1-[(5Z,6E)-5,6-di(ethylidene)-2-pyridinyl]-4-sulfanylpiperazine
CID 146593637

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine?
The IUPAC name of 2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine (CID 123879104) is 2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine.
What is the SMILES notation for 2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine?
The canonical SMILES for 2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine is CC1=C/C(N2CCN(C)CC2)=N\C(C)=CCC1.
What is the InChIKey of 2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine?
The InChIKey is GAMMEVFNESNBLW-NKBXKWMCSA-N. The full InChI is InChI=1S/C14H23N3/c1-12-5-4-6-13(2)15-14(11-12)17-9-7-16(3)8-10-17/h6,11H,4-5,7-10H2,1-3H3/b12-11?,13-6?,15-14+.
What are the key properties of 2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine?
2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine has a molecular weight of 233.36 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-8-(4-methylpiperazin-1-yl)-4,5-dihydroazocine is sourced from PubChem (CID 123879104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).