7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine

C28H30N2 — CID 10023572

IUPAC7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine
SMILESc1ccc(CN2CCN3CC(=C(c4ccccc4)c4ccccc4)CCC3C2)cc1
InChIInChI=1S/C28H30N2/c1-4-10-23(11-5-1)20-29-18-19-30-21-26(16-17-27(30)22-29)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,27H,16-22H2
InChIKeyQZZDOGOEWXPVCE-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.47
Rot. Bonds4

About 7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine

7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine (PubChem CID 10023572) has the molecular formula C28H30N2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine
PubChem CID10023572
Molecular FormulaC28H30N2
Molecular Weight394.56 g/mol
Exact Mass394.24
IUPAC Name7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine
SMILESc1ccc(CN2CCN3CC(=C(c4ccccc4)c4ccccc4)CCC3C2)cc1
InChIInChI=1S/C28H30N2/c1-4-10-23(11-5-1)20-29-18-19-30-21-26(16-17-27(30)22-29)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,27H,16-22H2
InChIKeyQZZDOGOEWXPVCE-UHFFFAOYSA-N
XLogP5.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine with MolForge

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Related Compounds

7-benzhydrylidene-2-benzyl-1,3,4,8,9,9a-hexahydropyrido[1,2-a]pyrazin-6-one
CID 11742203
(9aR)-2-benzyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 86333935
2-benzyl-1,3,4,6,8,8a-hexahydropyrrolo[1,2-a]pyrazin-7-one
CID 15665472
1-benzyl-4-cyclopropylpiperazine
CID 69195043
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024
(4aR)-3-benzyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-8-carboxylic acid
CID 68803609
4-(1-benzylpiperidin-3-yl)piperazine-1-carboxylic acid
CID 68706242
2-amino-1-[3-(4-benzylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 84755578
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
2-benzyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-8-thiol
CID 82383233
(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
CID 129363222

Frequently Asked Questions

What is the IUPAC name of 7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine?
The IUPAC name of 7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine (CID 10023572) is 7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine.
What is the SMILES notation for 7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine?
The canonical SMILES for 7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine is c1ccc(CN2CCN3CC(=C(c4ccccc4)c4ccccc4)CCC3C2)cc1.
What is the InChIKey of 7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine?
The InChIKey is QZZDOGOEWXPVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2/c1-4-10-23(11-5-1)20-29-18-19-30-21-26(16-17-27(30)22-29)28(24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-15,27H,16-22H2.
What are the key properties of 7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine?
7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine has a molecular weight of 394.56 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzhydrylidene-2-benzyl-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazine is sourced from PubChem (CID 10023572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).