9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline

C14H20N2 — CID 134420882

IUPAC9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
SMILESCCc1ccc2c(c1)CCN1CCNCC21
InChIInChI=1S/C14H20N2/c1-2-11-3-4-13-12(9-11)5-7-16-8-6-15-10-14(13)16/h3-4,9,14-15H,2,5-8,10H2,1H3
InChIKeyMOJVHPWDFIXTTP-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.75
Rot. Bonds1

About 9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline

9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline (PubChem CID 134420882) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline.

Molecular Properties

Compound Name9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
PubChem CID134420882
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
SMILESCCc1ccc2c(c1)CCN1CCNCC21
InChIInChI=1S/C14H20N2/c1-2-11-3-4-13-12(9-11)5-7-16-8-6-15-10-14(13)16/h3-4,9,14-15H,2,5-8,10H2,1H3
InChIKeyMOJVHPWDFIXTTP-UHFFFAOYSA-N
XLogP1.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

Related Compounds

(11bR)-9-[(5-ethylpyrimidin-2-yl)methyl]-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline
CID 147981289
1-[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]-3-(4-methylphenyl)propan-2-one
CID 146740295
6-[[(11bR)-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl]methyl]-N,N,2-trimethylpyrimidin-4-amine
CID 147421152
(11bR)-9-ethyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline-2-carboxylic acid
CID 129137436
(11bR)-N-[(3-methylphenyl)methyl]-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline-9-carboxamide
CID 129150406
10-bromo-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline;hydrochloride
CID 121003869
7-ethyl-2-piperazin-1-yl-3,4-dihydro-2H-naphthalen-1-one
CID 84637454
1-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-[4-(trifluoromethyl)phenyl]urea;hydrochloride
CID 129137388
2-cyclopropyl-7-ethyl-3,4-dihydro-1H-isoquinoline
CID 138530633
(1S)-5-thia-9,12-diazatricyclo[7.4.0.02,6]trideca-2(6),3-diene
CID 97102708
5-thia-9,12-diazatricyclo[7.4.0.02,6]trideca-2(6),3-diene
CID 71777791
N-(2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinolin-9-yl)-3-cyclopropyl-1,2,4-oxadiazol-5-amine
CID 134420885

Frequently Asked Questions

What is the IUPAC name of 9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
The IUPAC name of 9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline (CID 134420882) is 9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline.
What is the SMILES notation for 9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
The canonical SMILES for 9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline is CCc1ccc2c(c1)CCN1CCNCC21.
What is the InChIKey of 9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
The InChIKey is MOJVHPWDFIXTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-2-11-3-4-13-12(9-11)5-7-16-8-6-15-10-14(13)16/h3-4,9,14-15H,2,5-8,10H2,1H3.
What are the key properties of 9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline?
9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline has a molecular weight of 216.33 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-2,3,4,6,7,11b-hexahydro-1H-pyrazino[2,1-a]isoquinoline is sourced from PubChem (CID 134420882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).