4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine

C19H23N3 — CID 134265746

IUPAC4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESc1ccc(CCc2ccnc3c2CCC2CNCCN32)cc1
InChIInChI=1S/C19H23N3/c1-2-4-15(5-3-1)6-7-16-10-11-21-19-18(16)9-8-17-14-20-12-13-22(17)19/h1-5,10-11,17,20H,6-9,12-14H2
InChIKeyPQVMQEUTSZUZCU-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.59
Rot. Bonds3

About 4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine

4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (PubChem CID 134265746) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.

Molecular Properties

Compound Name4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
PubChem CID134265746
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
SMILESc1ccc(CCc2ccnc3c2CCC2CNCCN32)cc1
InChIInChI=1S/C19H23N3/c1-2-4-15(5-3-1)6-7-16-10-11-21-19-18(16)9-8-17-14-20-12-13-22(17)19/h1-5,10-11,17,20H,6-9,12-14H2
InChIKeyPQVMQEUTSZUZCU-UHFFFAOYSA-N
XLogP2.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265733
4-methyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265834
4-cyclopropyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265639
ethyl N-[(6aR)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridin-4-yl]carbamate
CID 134277515
(6aR)-3-propyl-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine
CID 134265668
2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a][1,6]naphthyridine
CID 134265703
1-(azetidin-3-yl)-4-(2-phenylethyl)piperazine
CID 66202494
2-[2-[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]ethyl]pyridine-4-carboxylic acid
CID 158494780
4-[4-(2-benzylpiperazin-1-yl)butyl]-3-hydroxypyridine-2-carboxylic acid
CID 175919223
2-[[[4-(2-phenylethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]amino]methyl]pyridine-4-carboxylic acid
CID 118420967
5-(2-benzylpiperazin-1-yl)-1,2-oxazole
CID 59674908
2-benzyl-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 54775508

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The IUPAC name of 4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine (CID 134265746) is 4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine.
What is the SMILES notation for 4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The canonical SMILES for 4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is c1ccc(CCc2ccnc3c2CCC2CNCCN32)cc1.
What is the InChIKey of 4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
The InChIKey is PQVMQEUTSZUZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3/c1-2-4-15(5-3-1)6-7-16-10-11-21-19-18(16)9-8-17-14-20-12-13-22(17)19/h1-5,10-11,17,20H,6-9,12-14H2.
What are the key properties of 4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine?
4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine has a molecular weight of 293.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-6,6a,7,8,9,10-hexahydro-5H-pyrazino[1,2-a][1,8]naphthyridine is sourced from PubChem (CID 134265746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).