7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine

C14H25N5 — CID 91305367

IUPAC7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine
SMILESCCC1CC=C2N=C(N3CCNCC3)CNC2CN1
InChIInChI=1S/C14H25N5/c1-2-11-3-4-12-13(9-16-11)17-10-14(18-12)19-7-5-15-6-8-19/h4,11,13,15-17H,2-3,5-10H2,1H3
InChIKeyQVUWFSHMAQEUNC-UHFFFAOYSA-N
MW263.39 g/mol
LogP-0.08
Rot. Bonds1

About 7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine

7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine (PubChem CID 91305367) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine.

Molecular Properties

Compound Name7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine
PubChem CID91305367
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine
SMILESCCC1CC=C2N=C(N3CCNCC3)CNC2CN1
InChIInChI=1S/C14H25N5/c1-2-11-3-4-12-13(9-16-11)17-10-14(18-12)19-7-5-15-6-8-19/h4,11,13,15-17H,2-3,5-10H2,1H3
InChIKeyQVUWFSHMAQEUNC-UHFFFAOYSA-N
XLogP-0.08
TPSA51.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine with MolForge

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Related Compounds

1-hept-2-enyl-2,5,6-trimethyl-3-piperazin-1-yl-2H-pyrazine
CID 69355727
8-Methyl-3,7,9-triazabicyclo[4.3.1]deca-6(10),8-diene
CID 130257225
(2E)-1-(C,N-dimethylcarbonimidoyl)-5-methyl-N-(1-methylpiperidin-4-yl)-2-propylidenepyridin-3-amine
CID 142345339
1,2,3,4,5a,6,7,8-Octahydropyrazino[1,2-a]benzimidazol-7-amine
CID 144409935
N-methyl-1-[(4-methyl-1,4-dihydropyrimidin-6-yl)methyl]piperidin-4-amine
CID 144950487
2-ethyl-7-(4-ethylpiperazin-1-yl)-4H-azepin-4-amine
CID 144995485
3-ethyl-7-piperazin-1-yl-4H-azepin-5-amine
CID 163561131
(3S)-1-[C-(2-amino-3-methylbut-1-enyl)-N-methylcarbonimidoyl]piperidin-3-amine
CID 173510966
2-(1,4-dimethylpiperazin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475132
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475212
2-(1,4-dimethylpiperazin-2-yl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476147
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-ethyl-1H-pyrimidine-4-thione
CID 113839066

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine?
The IUPAC name of 7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine (CID 91305367) is 7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine.
What is the SMILES notation for 7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine?
The canonical SMILES for 7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine is CCC1CC=C2N=C(N3CCNCC3)CNC2CN1.
What is the InChIKey of 7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine?
The InChIKey is QVUWFSHMAQEUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5/c1-2-11-3-4-12-13(9-16-11)17-10-14(18-12)19-7-5-15-6-8-19/h4,11,13,15-17H,2-3,5-10H2,1H3.
What are the key properties of 7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine?
7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine has a molecular weight of 263.39 g/mol, XLogP of -0.08, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-piperazin-1-yl-4,4a,5,6,7,8-hexahydro-3H-pyrazino[2,3-c]azepine is sourced from PubChem (CID 91305367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).