2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

C21H35N3O — CID 77093838

IUPAC2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCCOc1cc(C)c(CN2CCN3CCN(C)CC3C2)cc1C(C)C
InChIInChI=1S/C21H35N3O/c1-6-25-21-11-17(4)18(12-20(21)16(2)3)13-23-8-10-24-9-7-22(5)14-19(24)15-23/h11-12,16,19H,6-10,13-15H2,1-5H3
InChIKeyNTLQZRUNZJFPPE-UHFFFAOYSA-N
MW345.53 g/mol
LogP2.95
Rot. Bonds5

About 2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine

2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (PubChem CID 77093838) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is 2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
PubChem CID77093838
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
SMILESCCOc1cc(C)c(CN2CCN3CCN(C)CC3C2)cc1C(C)C
InChIInChI=1S/C21H35N3O/c1-6-25-21-11-17(4)18(12-20(21)16(2)3)13-23-8-10-24-9-7-22(5)14-19(24)15-23/h11-12,16,19H,6-10,13-15H2,1-5H3
InChIKeyNTLQZRUNZJFPPE-UHFFFAOYSA-N
XLogP2.95
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine with MolForge

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Launch Full Analysis

Related Compounds

4-cyclopropyl-1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpiperazine
CID 157019220
1-ethoxy-4-ethyl-5-methyl-2-propan-2-ylbenzene
CID 58065697
(9aR)-2-[(2-ethylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99951289
1-[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperazine
CID 82266066
1-[(4-butoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperazine
CID 82552698
2-[1-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperidin-2-yl]acetic acid
CID 74243559
(3R,4R)-4-hydroxy-1-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]piperidine-3-carboxylic acid
CID 164690165
(5R)-7-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 95882510
(9aR)-8-methyl-2-[[2-(2-phenylethoxy)phenyl]methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 124758671
(2S)-4-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]morpholine-2-carboxamide
CID 99930629
(9aR)-2-[(5-ethylfuran-2-yl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 99930669
1-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967858

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The IUPAC name of 2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine (CID 77093838) is 2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine.
What is the SMILES notation for 2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The canonical SMILES for 2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is CCOc1cc(C)c(CN2CCN3CCN(C)CC3C2)cc1C(C)C.
What is the InChIKey of 2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
The InChIKey is NTLQZRUNZJFPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-6-25-21-11-17(4)18(12-20(21)16(2)3)13-23-8-10-24-9-7-22(5)14-19(24)15-23/h11-12,16,19H,6-10,13-15H2,1-5H3.
What are the key properties of 2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine?
2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine has a molecular weight of 345.53 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine is sourced from PubChem (CID 77093838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).