(1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

C21H26N2 — CID 1351332

IUPAC(1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC[C@@H]1[C@H]2CCCN2CCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H26N2/c1-17-21-8-5-13-22(21)14-15-23(17)16-18-9-11-20(12-10-18)19-6-3-2-4-7-19/h2-4,6-7,9-12,17,21H,5,8,13-16H2,1H3/t17-,21-/m1/s1
InChIKeySQSJKDBFOPDVHW-DYESRHJHSA-N
MW306.45 g/mol
LogP4.02
Rot. Bonds3

About (1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine

(1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 1351332) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is (1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID1351332
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name(1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
SMILESC[C@@H]1[C@H]2CCCN2CCN1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H26N2/c1-17-21-8-5-13-22(21)14-15-23(17)16-18-9-11-20(12-10-18)19-6-3-2-4-7-19/h2-4,6-7,9-12,17,21H,5,8,13-16H2,1H3/t17-,21-/m1/s1
InChIKeySQSJKDBFOPDVHW-DYESRHJHSA-N
XLogP4.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

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Related Compounds

2-methyl-1-[[4-[(2-methyl-3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methyl]-3-pyrrolidin-1-ylpyrrolidine
CID 166201846
(1R,8aR)-2-[(10-chloroanthracen-9-yl)methyl]-1-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 7464266
(1S,8aS)-2-[(2,5-dimethylphenyl)methyl]-1-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 51637608
1-(1-benzyl-2-methylpyrrolidin-3-yl)pyrrole
CID 130559023
(4aS,5R,8aS)-1-benzyl-5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;(4aR,5S,8aR)-1-benzyl-5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 161179572
1-benzyl-3-chloro-2-methylpyrrolidine
CID 67849385
1-benzyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidine;ethane
CID 123575402
(2R,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126557725
(2S,3R)-1-benzyl-3-fluoro-2-methylpyrrolidine
CID 126524305
2-(1-benzyl-2-methylpiperidin-3-yl)ethanamine
CID 83850522
(2R,3R)-2-methyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxylic acid
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N-methyl-1-[(4-phenylphenyl)methyl]piperidin-3-amine
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Frequently Asked Questions

What is the IUPAC name of (1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine (CID 1351332) is (1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is C[C@@H]1[C@H]2CCCN2CCN1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is SQSJKDBFOPDVHW-DYESRHJHSA-N. The full InChI is InChI=1S/C21H26N2/c1-17-21-8-5-13-22(21)14-15-23(17)16-18-9-11-20(12-10-18)19-6-3-2-4-7-19/h2-4,6-7,9-12,17,21H,5,8,13-16H2,1H3/t17-,21-/m1/s1.
What are the key properties of (1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine?
(1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 306.45 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8aR)-1-methyl-2-[(4-phenylphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 1351332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).