7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline

C16H27N3 — CID 142160815

IUPAC7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline
SMILESCCC1CC=C2C(C)CC(N3CCNCC3)=NC2C1
InChIInChI=1S/C16H27N3/c1-3-13-4-5-14-12(2)10-16(18-15(14)11-13)19-8-6-17-7-9-19/h5,12-13,15,17H,3-4,6-11H2,1-2H3
InChIKeyKYXJIDTVZADEOD-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.44
Rot. Bonds1

About 7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline

7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline (PubChem CID 142160815) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline.

Molecular Properties

Compound Name7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline
PubChem CID142160815
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline
SMILESCCC1CC=C2C(C)CC(N3CCNCC3)=NC2C1
InChIInChI=1S/C16H27N3/c1-3-13-4-5-14-12(2)10-16(18-15(14)11-13)19-8-6-17-7-9-19/h5,12-13,15,17H,3-4,6-11H2,1-2H3
InChIKeyKYXJIDTVZADEOD-UHFFFAOYSA-N
XLogP2.44
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline with MolForge

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Launch Full Analysis

Related Compounds

N'-[(1,2-dimethylpiperidin-3-yl)-(3-methylcyclohex-2-en-1-yl)methyl]-N-(4-methylpentan-2-yl)ethanimidamide
CID 68029957
4-[1-[Cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine
CID 91068673
4-[1-[Cyclohexa-1,3-dien-1-yl(cyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohexa-2,4-dien-1-amine
CID 144078955
(5S)-5-N-[[(1S,4S,5R)-5-amino-2,4-dimethylcyclohex-2-en-1-yl]methyl]-4-N,4-N,5-N-trimethyl-2-methylimino-5,6-dihydro-1H-pyrimidine-4,5-diamine
CID 163694350
3-[6-(6-pyrrolidin-1-yl-3a,6,7,7a-tetrahydro-1H-benzimidazol-2-yl)cyclohexen-1-yl]-1,2,3,4,4a,5,6,8a-octahydroquinoxaline
CID 163710732
2,4-bis(4,5-dihydro-1H-imidazol-2-yl)-2,7,7,9-tetramethyl-3,4,8,9-tetrahydropyrido[2,3-g]quinoline
CID 172324145
3-[(6S)-6-methyl-1,2,3,6-tetrahydropyridin-4-yl]-3,3a,4,5,6,7-hexahydro-2H-pyrrolo[2,3-b]pyridine
CID 176569883
(3Z)-6-(2-cyclobutylethyl)-N-methyl-3-propylidenepiperidin-2-imine
CID 176962473

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline?
The IUPAC name of 7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline (CID 142160815) is 7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline.
What is the SMILES notation for 7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline?
The canonical SMILES for 7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline is CCC1CC=C2C(C)CC(N3CCNCC3)=NC2C1.
What is the InChIKey of 7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline?
The InChIKey is KYXJIDTVZADEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-13-4-5-14-12(2)10-16(18-15(14)11-13)19-8-6-17-7-9-19/h5,12-13,15,17H,3-4,6-11H2,1-2H3.
What are the key properties of 7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline?
7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline has a molecular weight of 261.41 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-methyl-2-piperazin-1-yl-3,4,6,7,8,8a-hexahydroquinoline is sourced from PubChem (CID 142160815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).