1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride

C20H27Cl2N3 — CID 142257992

IUPAC1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride
SMILESCl.Cl.c1ccc(C(c2ccccc2)C2NCCN3CCNCC23)cc1
InChIInChI=1S/C20H25N3.2ClH/c1-3-7-16(8-4-1)19(17-9-5-2-6-10-17)20-18-15-21-11-13-23(18)14-12-22-20;;/h1-10,18-22H,11-15H2;2*1H
InChIKeyQMGLMBQMHQKLJX-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.91
Rot. Bonds3

About 1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride

1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride (PubChem CID 142257992) has the molecular formula C20H27Cl2N3 and a molecular weight of 380.36 g/mol. Its IUPAC name is 1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride.

Molecular Properties

Compound Name1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride
PubChem CID142257992
Molecular FormulaC20H27Cl2N3
Molecular Weight380.36 g/mol
Exact Mass379.16
IUPAC Name1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride
SMILESCl.Cl.c1ccc(C(c2ccccc2)C2NCCN3CCNCC23)cc1
InChIInChI=1S/C20H25N3.2ClH/c1-3-7-16(8-4-1)19(17-9-5-2-6-10-17)20-18-15-21-11-13-23(18)14-12-22-20;;/h1-10,18-22H,11-15H2;2*1H
InChIKeyQMGLMBQMHQKLJX-UHFFFAOYSA-N
XLogP2.91
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride?
The IUPAC name of 1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride (CID 142257992) is 1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride.
What is the SMILES notation for 1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride?
The canonical SMILES for 1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride is Cl.Cl.c1ccc(C(c2ccccc2)C2NCCN3CCNCC23)cc1.
What is the InChIKey of 1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride?
The InChIKey is QMGLMBQMHQKLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3.2ClH/c1-3-7-16(8-4-1)19(17-9-5-2-6-10-17)20-18-15-21-11-13-23(18)14-12-22-20;;/h1-10,18-22H,11-15H2;2*1H.
What are the key properties of 1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride?
1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride has a molecular weight of 380.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrazino[1,2-a]pyrazine;dihydrochloride is sourced from PubChem (CID 142257992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).